Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70176 | Target Info | |||
| Target Name | Cyclin-dependent kinase 2 (CDK2) | ||||
| Synonyms | Sin3 associated polypeptide; SIN3-associated protein; P33 protein kinase; Cell division protein kinase 2; CDKN2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CDK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Sunitinib | Ligand Info | |||||
| Structure Description | CDK2 in complex with SUNITINIB | PDB:3TI1 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [1] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | PDB:4EOJ | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LSMDLKDFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: R-roscovitine | Ligand Info | |||||
| Structure Description | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | PDB:3DDQ | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT41 EGVPSTAIRE51 ISLLKELNHP 61 NIVKLLDVIH71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL 111 LQGLAFCHSH121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYHE 162 VVTLWYRAPE172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL 212 FRIFRTLGTP222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL 262 LSQMLHYDPN272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RRC or .RRC2 or .RRC3 or :3RRC;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:20 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.694
ILE10
3.329
GLY11
3.786
GLU12
3.648
GLY13
3.774
VAL18
3.748
LYS20
4.997
ALA31
3.298
LYS33
4.790
VAL64
3.492
PHE80
3.416
GLU81
3.236
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: UCN-01 | Ligand Info | |||||
| Structure Description | THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A | PDB:1PKD | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [4] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UCN or .UCN2 or .UCN3 or :3UCN;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PHA-848125 | Ligand Info | |||||
| Structure Description | STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | PDB:2WIH | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P48 or .P482 or .P483 or :3P48;style chemicals stick;color identity;select .A:10 or .A:11 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: SNS-032 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032) | PDB:5D1J | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
MENFQKVEKI
10 GEYGVVYKAR22 NKLTGEVVAL32 KKIREISLLK56 ELNHPNIVKL66 LDVIHTENKL 76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA116 FCHSHRVLHR 126 DLKPQNLLIN136 TEGAIKLADF146 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF 193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW 243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV 293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .56H or .56H2 or .56H3 or :356H;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AT7519 | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VU3 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGFG153 VPVRTYTHEV163 VTLWYRAPEI 173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD 223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK 273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZE or .LZE2 or .LZE3 or :3LZE;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PF-06873600 | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2/cyclin E in complex with PF-06873600 | PDB:7KJS | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [8] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WG1 or .WG12 or .WG13 or :3WG1;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: GDC-0994 | Ligand Info | |||||
| Structure Description | Crystal Structure of CDK2 in complex with compound 22 | PDB:5K4J | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [9] |
| PDB Sequence |
AMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAEVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6QB or .6QB2 or .6QB3 or :36QB;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.866
GLY11
3.958
GLU12
3.055
GLY13
2.640
THR14
4.454
TYR15
3.260
GLY16
2.978
VAL17
3.702
VAL18
3.401
ALA31
3.435
LYS33
3.073
VAL64
4.377
PHE80
4.518
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| Ligand Name: AZD-5438 | Ligand Info | |||||
| Structure Description | CDK2 in complex with AZD5438 | PDB:6GUH | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [10] |
| PDB Sequence |
EFMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLRTYTHEVV164 TLWYRAPEIL 174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE 224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR 274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FB8 or .FB82 or .FB83 or :3FB8;style chemicals stick;color identity;select .A:10 or .A:11 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PHA-793887 | Ligand Info | |||||
| Structure Description | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | PDB:2WPA | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [11] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .889 or .8892 or .8893 or :3889;style chemicals stick;color identity;select .A:10 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-751250 | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B | PDB:1CKP | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [12] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PVB or .PVB2 or .PVB3 or :3PVB;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: NPPB | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 liganded with compound GPHR787 | PDB:7RWE | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [13] |
| PDB Sequence |
NFQKVEKIGG
16 VVYKARNGEV29 VALKKIISLL55 KELNHPNIVK65 LLDVIHTLYL78 VFEFLHQDLK 88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC118 HSHRVLHRDL128 KPQNLLINTE 138 GAIKLADFGL148 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP 204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP 254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7TH or .7TH2 or .7TH3 or :37TH;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:31 or .A:33 or .A:35 or .A:52 or .A:55 or .A:58 or .A:63 or .A:64 or .A:66 or .A:78 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:117 or .A:118 or .A:123 or .A:134 or .A:144 or .A:145 or .A:146 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.020
LYS9
4.630
ILE10
3.446
VAL18
3.742
ALA31
3.279
LYS33
2.531
ILE35
3.628
ILE52
3.136
LEU55
3.548
LEU58
3.615
ILE63
3.679
VAL64
3.661
LEU66
4.215
LEU78
3.561
PHE80
3.553
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| Ligand Name: BS-194 | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with inhibitor BS-194 | PDB:3NS9 | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [14] |
| PDB Sequence |
NFQKVEKIGE
12 GTYGVVYKAR22 NKLTGEVVAL32 KKIGVPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 THEVVTLWYR 169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL 219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY 269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NS9 or .NS92 or .NS93 or :3NS9;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.318
LYS9
4.853
ILE10
3.251
GLY11
3.904
GLU12
4.007
GLY13
3.526
THR14
4.667
VAL18
3.479
ALA31
3.378
LYS33
3.585
VAL64
4.044
PHE80
3.662
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| Ligand Name: N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE | Ligand Info | |||||
| Structure Description | Human CDK2 in complex with isopentenyladenine | PDB:2EXM | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [15] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZIP or .ZIP2 or .ZIP3 or :3ZIP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | Ligand Info | |||||
| Structure Description | Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor | PDB:1YKR | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [16] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .628 or .6282 or .6283 or :3628;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Purpurogallin | Ligand Info | |||||
| Structure Description | CDK2 in complex with NSC 35676 | PDB:3TIY | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [1] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIRTEGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TIY or .TIY2 or .TIY3 or :3TIY;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145 or .A:146; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: R547 | Ligand Info | |||||
| Structure Description | Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor | PDB:2FVD | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [17] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLREI52 SLLKELNHPN62 IVKLLDVIHT 72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL112 QGLAFCHSHR 122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLAFGV154 PVRTYTHEVV164 TLWYRAPEIL 174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE 224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR 274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LIA or .LIA2 or .LIA3 or :3LIA;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:32 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-hydroxynaphthalene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | PDB:2VTH | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ2 or .LZ22 or .LZ23 or :3LZ2;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Structure of a pCDK2/CyclinA transition-state mimic | PDB:3QHW | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [18] |
| PDB Sequence |
GHMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TETEGVPSTA48 IREISLLKEL 58 NHPNIVKLLD68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL 108 FQLLQGLAFC118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT 158 YHEVVTLWYR169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI 209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG 259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.535
GLY11
3.592
GLU12
3.803
GLY13
2.890
THR14
3.789
TYR15
3.519
GLY16
2.812
VAL18
3.596
ALA31
3.573
LYS33
2.798
GLU51
4.716
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTI | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFVVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ3 or .LZ32 or .LZ33 or :3LZ3;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-phenyl-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | PDB:2VTL | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ5 or .LZ52 or .LZ53 or :3LZ5;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE | PDB:1AQ1 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [19] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 EVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STU or .STU2 or .STU3 or :3STU;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:133 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: BAY 10-00394 | Ligand Info | |||||
| Structure Description | Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 | PDB:5IEV | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [20] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVV164 TLWYRAPEIL 174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE 224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR 274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R0N or .R0N2 or .R0N3 or :3R0N;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Amino-6-Cyclohex-3-Enylmethyloxypurine | Ligand Info | |||||
| Structure Description | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine | PDB:1H0W | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [21] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .207 or .2072 or .2073 or :3207;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Triazolopyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | PDB:2C69 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [22] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CT8 or .CT82 or .CT83 or :3CT8;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.901
ILE10
3.911
GLY11
3.627
GLU12
3.447
GLY13
3.640
VAL18
3.776
ALA31
3.317
LYS33
2.868
VAL64
4.013
PHE80
4.081
GLU81
2.861
|
|||||
| Ligand Name: 2-Amino-6-Chloropyrazine | Ligand Info | |||||
| Structure Description | screening for fragment binding by X-ray crystallography | PDB:1WCC | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [23] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CIG or .CIG2 or .CIG3 or :3CIG;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | PDB:2VTJ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RVTLWYRAPE172 ILLGCKYYST 182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP222 DEVVWPGVTS 232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN272 KRISAKAALA 282 HPFFQDVTKP292 VPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ4 or .LZ42 or .LZ43 or :3LZ4;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline | Ligand Info | |||||
| Structure Description | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE | PDB:1DI8 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [24] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRGVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFEVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DTQ or .DTQ2 or .DTQ3 or :3DTQ;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Olomoucine | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 in complex with the inhibitor olomoucine. | PDB:1W0X | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [15] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OLO or .OLO2 or .OLO3 or :3OLO;style chemicals stick;color identity;select .C:8 or .C:10 or .C:11 or .C:18 or .C:31 or .C:64 or .C:80 or .C:81 or .C:82 or .C:83 or .C:84 or .C:85 or .C:86 or .C:89 or .C:131 or .C:134 or .C:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide | Ligand Info | |||||
| Structure Description | Structure of CDK2 complexed with PNU-181227 | PDB:1VYZ | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [25] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKITAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGEVVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N5B or .N5B2 or .N5B3 or :3N5B;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure | PDB:2CJM | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [26] |
| PDB Sequence |
MENFQKVEKI
10 GEGTGVVYKA21 RNKLTGEVVA31 LKKIREGVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:13 or .A:14 or .A:16 or .A:17 or .A:34 or .A:35 or .A:36 or .A:45 or .A:47; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(6-chloro-5-phenyl-1H-indazol-3-yl)butyramide | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor | PDB:3LFS | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [27] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A07 or .A072 or .A073 or :3A07;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor | PDB:4FKL | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | Yes | [28] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK2 or .CK22 or .CK23 or :3CK2;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-Sulfinoalanine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3I | ||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSD or .CSD2 or .CSD3 or :3CSD;style chemicals stick;color identity;select .A:172 or .A:173 or .A:175 or .A:176 or .A:178 or .A:179 or .A:180 or .A:233 or .A:234 or .A:271; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CVT-313 | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 IN complex with Inhibitor CVT-313 | PDB:6INL | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [30] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKITAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGVVTL166 WYRAPEILLG176 CKYYSTAVDI 186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY 236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF 286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJR or .AJR2 or .AJR3 or :3AJR;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:20 or .A:31 or .A:32 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
3.000
LYS9
4.926
ILE10
3.063
GLY11
3.426
GLU12
4.712
GLY13
4.043
VAL18
3.053
LYS20
4.869
ALA31
2.958
LEU32
4.344
LYS33
4.213
VAL64
3.236
|
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| Ligand Name: MFQ | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | PDB:1H07 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARPVRTYTH161 EVVTLWYRAP 171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MFQ or .MFQ2 or .MFQ3 or :3MFQ;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:131 or .A:132 or .A:133 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.721
GLY11
4.411
GLU12
4.453
GLY13
4.203
VAL18
3.345
ALA31
3.387
LYS33
4.363
VAL64
3.926
PHE80
3.653
GLU81
2.792
PHE82
3.625
LEU83
2.449
|
|||||
| Ligand Name: NU-6027 | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027 | PDB:1E1X | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [32] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NW1 or .NW12 or .NW13 or :3NW1;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-O-Cyclohexylmethyl Guanine | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058 | PDB:1E1V | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [32] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CMG or .CMG2 or .CMG3 or :3CMG;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4,5,6,7-tetrabromo-1H-benzo[d][1,2,3]triazole | Ligand Info | |||||
| Structure Description | The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) | PDB:1P5E | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [33] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TBS or .TBS2 or .TBS3 or :3TBS;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: NU6140 | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 IN complex with Inhibitor NU-6140 | PDB:6JGM | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [34] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGVVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AQG or .AQG2 or .AQG3 or :3AQG;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
2.743
GLY11
3.737
GLU12
2.812
GLY13
2.678
THR14
4.483
VAL18
3.146
ALA31
3.246
LYS33
4.552
VAL64
3.056
PHE80
2.695
GLU81
1.979
PHE82
3.108
|
|||||
| Ligand Name: Indirubin-5-sulfonate | Ligand Info | |||||
| Structure Description | Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound | PDB:1E9H | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [35] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .INR or .INR2 or .INR3 or :3INR;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145 or .A:146; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Meriolin 3 | Ligand Info | |||||
| Structure Description | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 | PDB:3BHT | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [36] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MFR or .MFR2 or .MFR3 or :3MFR;style chemicals stick;color identity;select .A:10 or .A:11 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:55 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145 or .A:146; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(thiazol-5-yl)-pyrimidine derivative 1 | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | PDB:4BCN | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [37] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT41 EGVPSTAIRE51 ISLLKELNHP 61 NIVKLLDVIH71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL 111 LQGLAFCHSH121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYHE 162 VVTLWYRAPE172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL 212 FRIFRTLGTP222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL 262 LSQMLHYDPN272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T9N or .T9N2 or .T9N3 or :3T9N;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole | Ligand Info | |||||
| Structure Description | CDk2/cyclinA in complex with DRB | PDB:3MY5 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [38] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLT41 EGVPSTAIRE51 ISLLKELNHP 61 NIVKLLDVIH71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL 111 LQGLAFCHSH121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYHE 162 VVTLWYRAPE172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL 212 FRIFRTLGTP222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL 262 LSQMLHYDPN272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RFZ or .RFZ2 or .RFZ3 or :3RFZ;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Meriolin 5 | Ligand Info | |||||
| Structure Description | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 | PDB:3BHU | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [36] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MHR or .MHR2 or .MHR3 or :3MHR;style chemicals stick;color identity;select .A:10 or .A:11 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:55 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:146; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | PDB:4EOJ | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LSMDLKDFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:50 or .A:126 or .A:150 or .A:158 or .A:159 or .A:161 or .A:162 or .A:163 or .A:180; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine | Ligand Info | |||||
| Structure Description | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | PDB:1OI9 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [39] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N20 or .N202 or .N203 or :3N20;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | Ligand Info | |||||
| Structure Description | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | PDB:1H1R | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [40] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6CP or .6CP2 or .6CP3 or :36CP;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: NU-6102 | Ligand Info | |||||
| Structure Description | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | PDB:1H1S | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [40] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4SP or .4SP2 or .4SP3 or :34SP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | Ligand Info | |||||
| Structure Description | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 | PDB:1H1Q | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [40] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2A6 or .2A62 or .2A63 or :32A6;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Iodopyrazole | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite2 | PDB:6Q3B | ||||
| Method | X-ray diffraction | Resolution | 1.11 Å | Mutation | No | [41] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PYZ or .PYZ2 or .PYZ3 or :3PYZ;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cysteinesulfonic Acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite2 | PDB:6Q3F | ||||
| Method | X-ray diffraction | Resolution | 1.18 Å | Mutation | No | [41] |
| PDB Sequence |
SPEFMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OCS or .OCS2 or .OCS3 or :3OCS;style chemicals stick;color identity;select .A:172 or .A:173 or .A:175 or .A:176 or .A:178 or .A:179 or .A:180 or .A:233 or .A:234 or .A:271; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CGP74514A | Ligand Info | |||||
| Structure Description | CDK2 in complex with CGP74514A | PDB:6GUK | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [10] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FC8 or .FC82 or .FC83 or :3FC8;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Lysine Nz-Carboxylic Acid | Ligand Info | |||||
| Structure Description | CCT068127 in complex with CDK2 | PDB:5MHQ | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [42] |
| PDB Sequence |
PEFMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKIRLT47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KCX or .KCX2 or .KCX3 or :3KCX;style chemicals stick;color identity;select .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:31 or .A:32 or .A:34 or .A:35 or .A:76 or .A:77 or .A:78 or .A:80 or .A:145 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-anilinonaphthalene-8-sulfonic acid | Ligand Info | |||||
| Structure Description | CDK2 ternary complex with JWS648 and ANS | PDB:3PXZ | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [43] |
| PDB Sequence |
SPEFMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2AN or .2AN2 or .2AN3 or :32AN;style chemicals stick;color identity;select .A:15 or .A:33 or .A:35 or .A:37 or .A:44 or .A:49 or .A:52 or .A:55 or .A:56 or .A:63 or .A:64 or .A:66 or .A:69 or .A:71 or .A:76 or .A:78 or .A:80 or .A:144 or .A:145 or .A:146 or .A:148 or .A:149 or .A:154 or .A:156; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR15
3.444
LYS33
3.010
ILE35
3.568
LEU37
3.573
VAL44
4.293
ILE49
4.891
ILE52
3.597
LEU55
3.467
LYS56
2.625
ILE63
4.281
VAL64
3.506
LEU66
3.829
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-Pyridin-4-YL-2,4-dihydro-indeno[1,2-.C.]pyrazole | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365 | PDB:1JVP | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [44] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFVVTLW167 YRAPEILLGC 177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .89E or .89E2 or .89E3 or :389E;style chemicals stick;color identity;select .P:10 or .P:18 or .P:31 or .P:33 or .P:64 or .P:80 or .P:81 or .P:82 or .P:83 or .P:84 or .P:85 or .P:86 or .P:134 or .P:144 or .P:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 liganded with compound EF4195 | PDB:7SA0 | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [45] |
| PDB Sequence |
MENFQKVEKI
10 GYGVVYKARN23 KLTGEVVALK33 KIRPSTAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVVVTLW167 YRAPEILLGC 177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KQ or .8KQ2 or .8KQ3 or :38KQ;style chemicals stick;color identity;select .A:10 or .A:11 or .A:15 or .A:18 or .A:20 or .A:31 or .A:33 or .A:35 or .A:52 or .A:55 or .A:56 or .A:58 or .A:59 or .A:60 or .A:63 or .A:64 or .A:65 or .A:66 or .A:76 or .A:78 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:117 or .A:118 or .A:121 or .A:123 or .A:132 or .A:134 or .A:135 or .A:143 or .A:144 or .A:145 or .A:146 or .A:148 or .A:149 or .A:152 or .A:154; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
2.297
GLY11
4.988
TYR15
3.402
VAL18
2.948
LYS20
3.258
ALA31
2.790
LYS33
2.002
ILE35
3.495
ILE52
2.344
LEU55
2.387
LYS56
4.895
LEU58
2.465
ASN59
4.375
HIS60
4.943
ILE63
2.779
VAL64
2.266
LYS65
3.806
LEU66
2.273
LEU76
3.324
LEU78
2.620
PHE80
1.961
GLU81
2.431
|
|||||
| Ligand Name: N-(9H-purin-6-yl)thiophene-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with N-(9H-purin-6-yl)thiophene- 2-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology | PDB:5ANJ | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [46] |
| PDB Sequence |
NFQKVEKIGE
12 GTYGVVYKAR22 NKLTGEVVAL32 KKIRLDTETE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZXC or .ZXC2 or .ZXC3 or :3ZXC;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Pyrrolo[3,2-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | CDK2 with EGFR inhibitor compound 8 | PDB:4RJ3 | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [47] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKIRLPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3QS or .3QS2 or .3QS3 or :33QS;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N6-Acetyl-L-lysine | Ligand Info | |||||
| Structure Description | CDK2 with EGFR inhibitor compound 8 | PDB:4RJ3 | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [47] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKIRLPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALY or .ALY2 or .ALY3 or :3ALY;style chemicals stick;color identity;select .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:31 or .A:32 or .A:34 or .A:35 or .A:76 or .A:77 or .A:78 or .A:80 or .A:145 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: trans-4-[4-[4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinyl]cyclohexaneacetic acid | Ligand Info | |||||
| Structure Description | CDK2 with compound 14 inhibitor with carboxylate | PDB:7M2F | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [48] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKISTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGPVR157 TYTHEVVTLW167 YRAPEILLGC 177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YOS or .YOS2 or .YOS3 or :3YOS;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(4-{[(2r,3r)-3-Hydroxybutan-2-Yl]amino}pyrimidin-2-Yl)amino]benzene-1-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of a CDK inhibitor bound to CDK2 | PDB:5IEY | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [20] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVE162 VVTLWYRAPE 172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP 222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN 272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6AE or .6AE2 or .6AE3 or :36AE;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTT | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKITAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLVTL166 WYRAPEILLG176 CKYYSTAVDI 186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY 236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF 286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZD or .LZD2 or .LZD3 or :3LZD;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 liganded with compound WN378 | PDB:7S9X | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [49] |
| PDB Sequence |
NFQKVEKIGT
14 YGVVYKARNK24 LTGEVVALKK34 IRAIREISLL55 KELNHPNIVK65 LLDVIHTKLY 77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF117 CHSHRVLHRD 127 LKPQNLLINT137 EGAIKLADFG147 LARVVTLWYR169 APEILLGCKY179 YSTAVDIWSL 189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS 239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV 289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KF or .8KF2 or .8KF3 or :38KF;style chemicals stick;color identity;select .A:15 or .A:33 or .A:35 or .A:52 or .A:55 or .A:58 or .A:59 or .A:63 or .A:64 or .A:65 or .A:66 or .A:76 or .A:78 or .A:80 or .A:117 or .A:118 or .A:121 or .A:123 or .A:144 or .A:145 or .A:146 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR15
4.249
LYS33
2.700
ILE35
4.722
ILE52
3.168
LEU55
3.372
LEU58
3.204
ASN59
4.915
ILE63
3.656
VAL64
3.384
LYS65
4.826
LEU66
3.771
LEU76
4.363
|
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| Ligand Name: 3-[({3-Ethyl-5-[(2s)-2-(2-Hydroxyethyl)piperidin-1-Yl]pyrazolo[1,5-A]pyrimidin-7-Yl}amino)methyl]-1-Hydroxypyridinium | Ligand Info | |||||
| Structure Description | CDK2 in complex with Dinaciclib | PDB:4KD1 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [50] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1QK or .1QK2 or .1QK3 or :31QK;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.295
ILE10
3.406
GLY11
3.923
GLU12
3.811
GLY13
4.256
VAL18
3.635
ALA31
3.305
LYS33
2.565
VAL64
3.928
PHE80
3.584
GLU81
3.200
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-Methoxypurine | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | PDB:5ANE | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [46] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SZL or .SZL2 or .SZL3 or :3SZL;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]pyrimidin-2-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | PDB:1H01 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKIRSTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT160 HEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAL or .FAL2 or .FAL3 or :3FAL;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]pyrimidin-2-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | PDB:1H01 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKIRSTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT160 HEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FBL or .FBL2 or .FBL3 or :3FBL;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:92 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.411
GLY11
3.200
GLU12
3.691
GLY13
4.037
VAL18
3.741
ALA31
3.357
VAL64
4.047
PHE80
4.017
GLU81
3.074
PHE82
3.923
LEU83
2.692
|
|||||
| Ligand Name: 4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol | Ligand Info | |||||
| Structure Description | 4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects | PDB:2CLX | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [51] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F18 or .F182 or .F183 or :3F18;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:134 or .A:144 or .A:145 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-{[5-(Cyclohexylmethoxy)[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | PDB:2C6I | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [22] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DT1 or .DT12 or .DT13 or :3DT1;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.719
GLY11
4.399
GLU12
3.525
GLY13
3.571
VAL18
3.912
ALA31
3.440
LYS33
3.093
VAL64
3.791
PHE80
4.019
GLU81
2.829
PHE82
3.896
|
|||||
| Ligand Name: (4s)-2-(8-Hydroxyquinolin-2-Yl)-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with a Luciferin derivate | PDB:4D1Z | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [52] |
| PDB Sequence |
NFQKVEKIGG
16 VVYKARNKLT26 GEVVALKKIA48 IREISLLKEL58 NHPNIVKLLD68 VIHTKLYLVF 80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS120 HRVLHRDLKP 130 QNLLINTEGA140 IKLADFGTLW167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV 197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD 247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPH |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WG8 or .WG82 or .WG83 or :3WG8;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:146 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:226 or .A:243 or .A:244 or .A:245 or .A:264 or .A:267 or .A:268 or .A:269 or .A:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
2.745
GLY11
3.412
VAL18
3.034
ALA31
3.182
LYS33
2.952
VAL64
3.274
PHE80
2.722
GLU81
4.097
PHE82
3.101
LEU83
2.079
HIS84
2.968
GLN85
2.457
ASP86
3.593
LYS89
3.508
GLN131
4.195
ASN132
4.825
LEU134
2.620
|
|||||
| Ligand Name: 2-(4-(Aminomethyl)piperidin-1-YL)-N-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-C]pyrazol-5-YL)acetamide | Ligand Info | |||||
| Structure Description | Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312 | PDB:2B55 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [53] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIGVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 VVTLWYRAPE172 ILLGCKYYST 182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP222 DEVVWPGVTS 232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN272 KRISAKAALA 282 HPFFQDVTKP292 VPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D31 or .D312 or .D313 or :3D31;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3,4-dimethyl-5-[2-[(Z)-(4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)amino]pyrimidin-4-yl]-1,3-thiazol-2-one | Ligand Info | |||||
| Structure Description | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | PDB:2XNB | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [54] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYTHE 162 VVTLWYRAPE172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL 212 FRIFRTLGTP222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL 262 LSQMLHYDPN272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y8L or .Y8L2 or .Y8L3 or :3Y8L;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.311
GLY11
4.750
GLU12
3.568
GLY13
3.905
VAL18
3.173
ALA31
3.309
LYS33
2.845
VAL64
4.148
PHE80
3.829
GLU81
3.055
PHE82
3.723
|
|||||
| Ligand Name: 3-(4,7-Dichloro-1h-Indol-3-Yl)prop-2-Yn-1-Ol | Ligand Info | |||||
| Structure Description | Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. | PDB:5FP6 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [55] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MFZ or .MFZ2 or .MFZ3 or :3MFZ;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:16 or .A:18 or .A:31 or .A:33 or .A:37 or .A:41 or .A:42 or .A:45 or .A:48 or .A:49 or .A:52 or .A:53 or .A:64 or .A:69 or .A:71 or .A:76 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.010
GLY11
3.583
GLU12
2.977
GLY13
3.431
GLY16
4.561
VAL18
2.871
ALA31
3.311
LYS33
3.533
LEU37
3.539
THR41
3.544
GLU42
3.793
PRO45
3.695
ALA48
3.433
ILE49
3.469
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| Ligand Name: 6-(3,4-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1H-pyrazolo[3,4-D]pyrimidin-4(5H)-one | Ligand Info | |||||
| Structure Description | Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305 | PDB:2B54 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [56] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D05 or .D052 or .D053 or :3D05;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.259
LYS9
3.699
ILE10
3.053
GLY11
3.350
GLU12
4.095
GLY13
3.726
THR14
4.023
VAL18
3.427
ALA31
3.324
LYS33
2.502
VAL64
3.692
PHE80
3.754
|
|||||
| Ligand Name: N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide | Ligand Info | |||||
| Structure Description | STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873 | PDB:2BTR | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [57] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKITAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLAEV163 VTLWYRAPEI173 LLGCKYYSTA 183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD223 EVVWPGVTSM 233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK273 RISAKAALAH 283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U73 or .U732 or .U733 or :3U73;style chemicals stick;color identity;select .A:8 or .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(3-(2,4-Dimethylthiazol-5-YL)-4-oxo-2,4-dihydroindeno[1,2-C]pyrazol-5-YL)-3-(4-methylpiperazin-1-YL)urea | Ligand Info | |||||
| Structure Description | Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562 | PDB:2B52 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [58] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLAHEVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D42 or .D422 or .D423 or :3D42;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.279
GLY11
4.831
GLU12
3.749
GLY13
3.368
THR14
4.172
VAL18
3.259
ALA31
3.466
LYS33
4.301
VAL64
3.674
PHE80
3.499
GLU81
3.618
PHE82
3.194
|
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| Ligand Name: 5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | PDB:2VTR | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZB or .LZB2 or .LZB3 or :3LZB;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2Z)-5'-Bromo-2,3'-biindole-2',3(1H,1'H)-dione ammoniate | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 5-BROMO-INDIRUBINE | PDB:2BHE | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [59] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLV164 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BRY or .BRY2 or .BRY3 or :3BRY;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one | Ligand Info | |||||
| Structure Description | Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2 (CDK-2) | PDB:3FZ1 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [60] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGHEVV164 TLWYRAPEIL 174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE 224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR 274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B98 or .B982 or .B983 or :3B98;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,4,6-Trioxo-1-Phenyl-Hexahydropyrimidine-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology | PDB:5ANK | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [46] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ113 GLAFCHSHRV 123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFT165 LWYRAPEILL175 GCKYYSTAVD 185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV225 VWPGVTSMPD 235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI275 SAKAALAHPF 285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RJI or .RJI2 or .RJI3 or :3RJI;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[4-(3,4-Dimethyl-2-Oxo-2,3-Dihydro-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-N-(2-Methoxy-Ethyl)-Benzenesulfonamide | Ligand Info | |||||
| Structure Description | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | PDB:2XMY | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [54] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYTHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CDK or .CDK2 or .CDK3 or :3CDK;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[4-(Phenylamino)pyrimidin-2-Yl]amino}benzoic Acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor YL1-038-31 | PDB:3UNJ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [61] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0BX or .0BX2 or .0BX3 or :30BX;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[5-(Cyclohexylamino)[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | PDB:2C6K | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [22] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DT2 or .DT22 or .DT23 or :3DT2;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[5-(Cyclohexyloxy)[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | PDB:2C6M | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [22] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DT5 or .DT52 or .DT53 or :3DT5;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-[(4-Aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-A]pyrimidine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFHEVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZC or .LZC2 or .LZC3 or :3LZC;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.637
GLY11
4.843
GLU12
3.810
GLY13
3.796
THR14
4.951
VAL18
3.893
ALA31
3.371
LYS33
2.818
VAL64
3.958
PHE80
3.369
GLU81
3.178
|
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| Ligand Name: 5-{[(2-Amino-9H-purin-6-YL)oxy]methyl}-2-pyrrolidinone | Ligand Info | |||||
| Structure Description | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[(R)-pyrrolidino-5'-yl]methoxypurine | PDB:1H0V | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [21] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UN4 or .UN42 or .UN43 or :3UN4;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Chloropurine | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | PDB:5ANI | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [46] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIRSTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVVVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ES4 or .ES42 or .ES43 or :3ES4;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-Methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL]pyrimidin-2-YL}amino)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b | PDB:2W05 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [62] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLE162 VVTLWYRAPE172 ILLGCKYYST 182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP222 DEVVWPGVTS 232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN272 KRISAKAALA 282 HPFFQDVTKP292 VPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FRT or .FRT2 or .FRT3 or :3FRT;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Oxazorone | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with 7-hydroxy-4-(morpholinomethyl)chromen-2-one processed with the CrystalDirect automated mounting and cryo-cooling technology | PDB:5ANG | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [46] |
| PDB Sequence |
ENFQKVEKIG
11 EGGVVYKARN23 KLTGEVVALK33 KISTAIREIS53 LLKELNHPNI63 VKLLDVIHTL 76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA116 FCHSHRVLHR 126 DLKPQNLLIN136 TEGAIKLADF146 GLVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG 190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF 240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT 290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WY3 or .WY32 or .WY33 or :3WY3;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTQ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGVV164 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZA or .LZA2 or .LZA3 or :3LZA;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Dithioerythritol | Ligand Info | |||||
| Structure Description | Structure of a pCDK2/CyclinA transition-state mimic | PDB:3QHW | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [18] |
| PDB Sequence |
GHMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TETEGVPSTA48 IREISLLKEL 58 NHPNIVKLLD68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL 108 FQLLQGLAFC118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT 158 YHEVVTLWYR169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI 209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG 259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DTU or .DTU2 or .DTU3 or :3DTU;style chemicals stick;color identity;select .A:57; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Trifluoromagnesate(1-) | Ligand Info | |||||
| Structure Description | Structure of a pCDK2/CyclinA transition-state mimic | PDB:3QHW | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [18] |
| PDB Sequence |
GHMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TETEGVPSTA48 IREISLLKEL 58 NHPNIVKLLD68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL 108 FQLLQGLAFC118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT 158 YHEVVTLWYR169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI 209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG 259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MGF or .MGF2 or .MGF3 or :3MGF;style chemicals stick;color identity;select .A:13 or .A:14 or .A:15 or .A:127 or .A:129 or .A:131 or .A:132 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (3S,4S)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with inhibitor ICEC0943 | PDB:5JQ8 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [63] |
| PDB Sequence |
NFQKVEKIGE
12 GTYGVVYKAR22 NKLTGEVVAL32 KKIPSTAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FEVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I73 or .I732 or .I733 or :3I73;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.310
ILE10
3.302
GLY11
4.210
GLU12
3.742
GLY13
3.350
VAL18
3.622
ALA31
3.332
LYS33
3.388
VAL64
3.936
PHE80
3.455
GLU81
3.048
PHE82
3.809
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| Ligand Name: Samuraciclib | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with inhibitor ICEC0942 | PDB:5JQ5 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [63] |
| PDB Sequence |
NFQKVEKIGE
12 GTYGVVYKAR22 NKLTGEVVAL32 KKIRSTAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYTH161 EVVTLWYRAP 171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I74 or .I742 or .I743 or :3I74;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.598
ILE10
3.541
GLY11
4.013
GLU12
3.914
GLY13
4.240
VAL18
3.642
ALA31
3.293
LYS33
4.805
VAL64
4.048
PHE80
3.589
GLU81
3.147
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| Ligand Name: (5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-A]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | PDB:2C68 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [22] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CT6 or .CT62 or .CT63 or :3CT6;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.365
ILE10
3.680
GLY11
3.608
GLU12
3.592
GLY13
3.845
VAL18
3.913
ALA31
3.339
LYS33
2.928
VAL64
3.972
PHE80
4.191
GLU81
2.949
|
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| Ligand Name: 4-((5-Bromo-4-(Prop-2-Yn-1-Ylamino)pyrimidin-2-Yl)amino)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of CDK2 in complex with pan-CDK Inhibitor | PDB:4BGH | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [64] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 VTLWYRAPEI173 LLGCKYYSTA 183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD223 EVVWPGVTSM 233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK273 RISAKAALAH 283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3I6 or .3I62 or .3I63 or :33I6;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(2,5-Dichloro-thiophen-3-YL)-pyrimidin-2-ylamine | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine | PDB:1PXI | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [65] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK1 or .CK12 or .CK13 or :3CK1;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Olomoucine II | Ligand Info | |||||
| Structure Description | Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor | PDB:2A0C | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [66] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK9 or .CK92 or .CK93 or :3CK9;style chemicals stick;color identity;select .X:8 or .X:10 or .X:11 or .X:12 or .X:13 or .X:18 or .X:31 or .X:33 or .X:64 or .X:80 or .X:81 or .X:82 or .X:83 or .X:84 or .X:85 or .X:86 or .X:89 or .X:131 or .X:132 or .X:134 or .X:144 or .X:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.355
ILE10
3.623
GLY11
3.420
GLU12
3.378
GLY13
3.871
VAL18
3.143
ALA31
3.392
LYS33
4.820
VAL64
4.016
PHE80
3.552
GLU81
3.035
|
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| Ligand Name: 4-[(6-Amino-4-pyrimidinyl)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | The structure of cyclin-dependent kinase 2 (CDK2) in complex with 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide | PDB:1JSV | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [67] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT160 HEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U55 or .U552 or .U553 or :3U55;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [4-(2-Amino-4-methyl-thiazol-5-YL)-pyrimidin-2-YL]-(3-nitro-phenyl)-amine | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | PDB:1PXO | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [68] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK7 or .CK72 or .CK73 or :3CK7;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(5-Isopropyl-1,3-thiazol-2-YL)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032 | PDB:2BTS | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [57] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLV164 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U32 or .U322 or .U323 or :3U32;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (13r,15s)-13-Methyl-16-Oxa-8,9,12,22,24-Pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25),18,20-Heptaene-23,26-Dione | Ligand Info | |||||
| Structure Description | Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor | PDB:2DS1 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [69] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEHVHQDLK88 TFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1CD or .1CD2 or .1CD3 or :31CD;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2s)-N-(5-{[(5-Tert-Butyl-1,3-Oxazol-2-Yl)methyl]sulfanyl}-1,3-Thiazol-2-Yl)-2-Phenylpropanamide | Ligand Info | |||||
| Structure Description | Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide | PDB:4LYN | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [70] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFVTLWYRAP 171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1YG or .1YG2 or .1YG3 or :31YG;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (5-Chloropyrazolo[1,5-A]pyrimidin-7-YL)-(4-methanesulfonylphenyl)amine | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | PDB:1Y8Y | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [71] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CT7 or .CT72 or .CT73 or :3CT7;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(5-Oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | PDB:1GII | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [72] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEHVHQDLK88 TFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1PU or .1PU2 or .1PU3 or :31PU;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-(Aminomethyl)-N-(3-{[6-Bromo-2-(4-Methoxyphenyl)-3h-Imidazo[4,5-B]pyridin-7-Yl]amino}propyl)cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | PDB:3ULI | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [73] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVE162 VVTLWYRAPE 172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP 222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN 272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1N3 or .1N32 or .1N33 or :31N3;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.466
GLY11
4.086
GLU12
3.153
GLY13
3.924
GLY16
4.326
VAL18
3.274
ALA31
3.257
LYS33
3.487
VAL64
4.433
PHE80
3.701
GLU81
3.308
PHE82
3.751
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| Ligand Name: 3-{[(2,2-Dioxido-1,3-dihydro-2-benzothien-5-YL)amino]methylene}-5-(1,3-oxazol-5-YL)-1,3-dihydro-2H-indol-2-one | Ligand Info | |||||
| Structure Description | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | PDB:1KE7 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [74] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFVVTLW167 YRAPEILLGC 177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LS3 or .LS32 or .LS33 or :3LS3;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-((3R,4S,5R)-4-Amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1H-pyrrol-2-YL)-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one | Ligand Info | |||||
| Structure Description | CDK2 complex with a 4-alkynyl oxindole inhibitor | PDB:1R78 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [75] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGVT165 LWYRAPEILL175 GCKYYSTAVD 185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV225 VWPGVTSMPD 235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI275 SAKAALAHPF 285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMD or .FMD2 or .FMD3 or :3FMD;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-YL)benzenesulfonamide | Ligand Info | |||||
| Structure Description | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | PDB:1KE8 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [74] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LS4 or .LS42 or .LS43 or :3LS4;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(2-Chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine | Ligand Info | |||||
| Structure Description | The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor | PDB:3LE6 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [76] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYTH161 EVVTLWYRAP 171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVP
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2BZ or .2BZ2 or .2BZ3 or :32BZ;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 6-(3-Aminophenyl)-N-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine | Ligand Info | |||||
| Structure Description | Human cyclin dependent kinase 2 (CDK2) complexed with DIN-234325 | PDB:2B53 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [77] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D23 or .D232 or .D233 or :3D23;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Indazole | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTA | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ1 or .LZ12 or .LZ13 or :3LZ1;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-E]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide | Ligand Info | |||||
| Structure Description | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | PDB:1KE6 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [74] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LS2 or .LS22 or .LS23 or :3LS2;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor | PDB:3WBL | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [78] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKTGEVVA31 LKKIRLGVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PDY or .PDY2 or .PDY3 or :3PDY;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [2-Amino-6-(2,6-difluoro-benzoyl)-imidazo[1,2-A]pyridin-3-YL]-phenyl-methanone | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 with inhibitor | PDB:1PYE | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [79] |
| PDB Sequence |
MENFQKVEKI
10 GEGVVYKARN23 KLTGEVVALK33 KITAIREISL54 LKELNHPNIV64 KLLDVIHTEL 76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA116 FCHSHRVLHR 126 DLKPQNLLIN136 TEGAIKLADF146 VVTLWYRAPE172 ILLGCKYYST182 AVDIWSLGCI 192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP222 DEVVWPGVTS232 MPDYKPSFPK 242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN272 KRISAKAALA282 HPFFQDVTKP 292 VPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PM1 or .PM12 or .PM13 or :3PM1;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(4-Hydroxy-phenylimino)-methyl]-naphthalen-2-ol | Ligand Info | |||||
| Structure Description | CDK2 in complex with NSC 111848 | PDB:3TIZ | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [1] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIRTEGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3TI or .3TI2 or .3TI3 or :33TI;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2r,3r)-3-[(5-Bromo-2-{[4-(S-Cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-Yl)oxy]butan-2-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2 | PDB:5IEX | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [20] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VTLWYRAPEI 173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD 223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK 273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6AF or .6AF2 or .6AF3 or :36AF;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor | PDB:3LFQ | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [27] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 THEVVTLWYR 169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL 219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY 269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A28 or .A282 or .A283 or :3A28;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Methyl-5-{(2E)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-YL}-1,3-thiazol-2-amine | Ligand Info | |||||
| Structure Description | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | PDB:2UUE | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [80] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MTZ or .MTZ2 or .MTZ3 or :3MTZ;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3aR,4S)-4-(2-amino-5-oxoimidazol-4-yl)-2-bromo-4,5,6,7-tetrahydro-3aH-pyrrolo[2,3-c]azepin-8-one | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE | PDB:1DM2 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [81] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLV164 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HMD or .HMD2 or .HMD3 or :3HMD;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-({4-[(2-Chlorophenyl)amino]pyrimidin-2-Yl}amino)benzoic Acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor YL5-083 | PDB:3UNK | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [61] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRETEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYTHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0BY or .0BY2 or .0BY3 or :30BY;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Firefly luciferin | Ligand Info | |||||
| Structure Description | CDK2 in complex with Luciferin | PDB:4D1X | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [52] |
| PDB Sequence |
NFQKVEKIGE
12 GTYGVVYKAR22 NKLTGEVVAL32 KKITAIREIS53 LLKELNHPNI63 VKLLDVIHTE 73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ113 GLAFCHSHRV 123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ESJ or .ESJ2 or .ESJ3 or :3ESJ;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL]-N',N'-dimethyl-benzene-1,4-diamine | Ligand Info | |||||
| Structure Description | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | PDB:2C5N | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [82] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK8 or .CK82 or .CK83 or :3CK8;style chemicals stick;color identity;select .A:10 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[5-(trans-4-Aminocyclohexylamino)-3-isopropylpyrazolo[1,5-A]pyrimidin-7-ylamino]-N,N-dimethylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | PDB:1Y91 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [71] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGYTHE162 VVTLWYRAPE 172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP 222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN 272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CT9 or .CT92 or .CT93 or :3CT9;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:15 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
2.925
GLY11
4.042
GLU12
3.645
GLY13
4.144
TYR15
4.470
VAL18
3.613
ALA31
3.462
LYS33
4.794
VAL64
3.810
PHE80
3.520
GLU81
3.084
PHE82
3.811
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| Ligand Name: N-[3-(1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]benzamide | Ligand Info | |||||
| Structure Description | Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity | PDB:2W1H | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [83] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L0F or .L0F2 or .L0F3 or :3L0F;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTP | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFEVVTLW167 YRAPEILLGC 177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ9 or .LZ92 or .LZ93 or :3LZ9;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Fluorobenzoic acid | Ligand Info | |||||
| Structure Description | Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site. | PDB:5FP5 | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [55] |
| PDB Sequence |
MENFQKVEKI
10 GEGYGVVYKA21 RNKLTGEVVA31 LKKITAIREI52 SLLKELNHPN62 IVKLLDVIHT 72 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL115 AFCHSHRVLH 125 RDLKPQNLLI135 NTEGAIKLAD145 FGLTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC 191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP 241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK 291 PVPH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1Y6 or .1Y62 or .1Y63 or :31Y6;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145 or .A:219 or .A:226 or .A:245 or .A:264 or .A:267 or .A:268 or .A:269 or .A:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTO | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFHEVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ8 or .LZ82 or .LZ83 or :3LZ8;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(5-Oxo-2,3,5,9B-tetrahydro-1H-pyrrolo[2,1-A]isoindol-9-YL)-3-(5-pyrrolidin-2-YL-1H-pyrazol-3-YL)-urea | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | PDB:1GIJ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [72] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRAIRE51 ISLLKELNHP61 NIVKLLDVIH 71 TENKLYLVFE81 HVHQDLKTFM91 DASALTGIPL101 PLIKSYLFQL111 LQGLAFCHSH 121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLAVT165 LWYRAPEILL175 GCKYYSTAVD 185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV225 VWPGVTSMPD 235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI275 SAKAALAHPF 285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2PU or .2PU2 or .2PU3 or :32PU;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(3,4-Dihydroxyphenyl)-8-(1,1-Dioxidoisothiazolidin-2-Yl)-3-Hydroxy-6-Methyl-4h-Chromen-4-One | Ligand Info | |||||
| Structure Description | Structure of CDK2 with a 3-hydroxychromones | PDB:2DUV | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [84] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIIREIS53 LLKELNHPNI63 VKLLDVIHTE 73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ113 GLAFCHSHRV 123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARVTL166 WYRAPEILLG176 CKYYSTAVDI 186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY 236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF 286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .371 or .3712 or .3713 or :3371;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-Imino-5-(1-Pyridin-2-Yl-Meth-(E)-Ylidene)-1,3-Thiazolidin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | PDB:2V0D | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [85] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C53 or .C532 or .C533 or :3C53;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTN | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGV164 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZ7 or .LZ72 or .LZ73 or :3LZ7;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cdk2 Inhibitor II | Ligand Info | |||||
| Structure Description | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR | PDB:1FVT | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [86] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .106 or .1062 or .1063 or :3106;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide | PDB:1KE5 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [74] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFVVTLW167 YRAPEILLGC 177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LS1 or .LS12 or .LS13 or :3LS1;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Hydroxy(oxo)(3-{[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]amino}phenyl)ammonium | Ligand Info | |||||
| Structure Description | DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN | PDB:2C5Y | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [82] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIGVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MTW or .MTW2 or .MTW3 or :3MTW;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.285
GLY11
3.246
GLU12
3.134
GLY13
2.956
GLY16
4.342
VAL18
3.453
ALA31
3.600
LYS33
3.100
VAL64
3.717
PHE80
3.760
GLU81
2.874
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | PDB:2VTM | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZM or .LZM2 or .LZM3 or :3LZM;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor | PDB:3LFN | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [27] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAHEV163 VTLWYRAPEI 173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD 223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK 273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A27 or .A272 or .A273 or :3A27;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:78 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:146 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.395
GLY11
4.917
GLU12
4.561
GLY13
4.032
VAL18
3.571
ALA31
3.452
LYS33
3.478
VAL64
4.067
LEU78
4.872
PHE80
3.265
GLU81
2.895
PHE82
3.490
|
|||||
| Ligand Name: (3s,4s)-1-{3-[2-Amino-6-(Propan-2-Yl)pyrimidin-4-Yl]-4-Hydroxyphenyl}pyrrolidine-3,4-Diol | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 with a 2-aminopyrimidine compound | PDB:3S2P | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [87] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PMU or .PMU2 or .PMU3 or :3PMU;style chemicals stick;color identity;select .A:10 or .A:14 or .A:18 or .A:31 or .A:33 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Imidazol-1-Yl-1h-Benzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology | PDB:5AND | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [46] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIPSTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVP
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5JE or .5JE2 or .5JE3 or :35JE;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-({5-[(4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-A]pyrimidin-7-YL}amino)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | PDB:2C6L | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [22] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DT4 or .DT42 or .DT43 or :3DT4;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{5-[(1z)-1-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)ethyl]-2-Furyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | PDB:2UZN | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [85] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFVVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C96 or .C962 or .C963 or :3C96;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | PDB:2UZO | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [85] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C62 or .C622 or .C623 or :3C62;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[5-(1,1-Dioxidoisothiazolidin-2-YL)-1H-indazol-3-YL]-2-(4-piperidin-1-ylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of a 3-aminoindazole compound with CDK2 | PDB:2R64 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [88] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .740 or .7402 or .7403 or :3740;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
2.998
LYS9
3.706
ILE10
3.410
GLY11
4.907
GLU12
4.813
GLY13
3.474
THR14
4.630
VAL18
3.422
ALA31
3.327
LYS33
3.569
VAL64
4.317
PHE80
3.601
|
|||||
| Ligand Name: 4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | PDB:2UZE | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [85] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C95 or .C952 or .C953 or :3C95;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}-2-(Trifluoromethyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | PDB:2UZL | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [85] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLR
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C94 or .C942 or .C943 or :3C94;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(2,4-Dimethyl-1,3-thiazol-5-YL)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | PDB:1PXL | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [65] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK4 or .CK42 or .CK43 or :3CK4;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[4-(4-Methyl-2-methylamino-thiazol-5-YL)-pyrimidin-2-ylamino]-phenol | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | PDB:1PXN | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [68] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK6 or .CK62 or .CK63 or :3CK6;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[(2-Aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-YL)benzo[CD]indol-2(1H)-one | Ligand Info | |||||
| Structure Description | The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor | PDB:1P2A | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [89] |
| PDB Sequence |
MENFQKVEKI
10 GEGVVYKARN23 KLTGEVVALK33 KIRLAIREIS53 LLKELNHPNI63 VKLLDVIHTE 73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ113 GLAFCHSHRV 123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLAVTLW167 YRAPEILLGC177 KYYSTAVDIW 187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW227 PGVTSMPDYK 237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA277 KAALAHPFFQ 287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5BN or .5BN2 or .5BN3 or :35BN;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Bromo-13-Thia-2,4,8,12,19-Pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-Hexaene 13,13-Dioxide | Ligand Info | |||||
| Structure Description | Crystal Structure of CDK2 in complex with Macrocyclic Aminopyrimidine | PDB:2J9M | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [90] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 VTLWYRAPEI173 LLGCKYYSTA 183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD223 EVVWPGVTSM 233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK273 RISAKAALAH 283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PY8 or .PY82 or .PY83 or :3PY8;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-ylamino]-phenol | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | PDB:1PXM | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [68] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK5 or .CK52 or .CK53 or :3CK5;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2E,3S)-3-Hydroxy-5'-[(4-hydroxypiperidin-1-YL)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 4-HYDROXYPIPERINDINESULFONYL-INDIRUBINE | PDB:2BHH | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [59] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLV164 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RYU or .RYU2 or .RYU3 or :3RYU;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[trans-(4-Aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717 | PDB:1G5S | ||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | No | [91] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLV163 VTLWYRAPEI173 LLGCKYYSTA 183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF213 RIFRTLGTPD223 EVVWPGVTSM 233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL263 SQMLHYDPNK273 RISAKAALAH 283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I17 or .I172 or .I173 or :3I17;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.835
ILE10
3.404
GLY11
4.335
GLU12
3.341
GLY13
3.546
THR14
4.319
VAL18
3.831
ALA31
3.390
LYS33
4.522
VAL64
4.038
PHE80
3.492
|
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| Ligand Name: 4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]-2-Furyl}-N-Methylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | PDB:2UZB | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [85] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C75 or .C752 or .C753 or :3C75;style chemicals stick;color identity;select .A:10 or .A:12 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | PDB:2UZD | ||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | No | [85] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C85 or .C852 or .C853 or :3C85;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (E)-N-(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)-3-nitrocyclohexa-2,4-dien-1-imine | Ligand Info | |||||
| Structure Description | Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design | PDB:2X1N | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [92] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X1N or .X1N2 or .X1N3 or :3X1N;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(7-Oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide | Ligand Info | |||||
| Structure Description | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | PDB:1FVV | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [86] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .107 or .1072 or .1073 or :3107;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[5,6-Bis(Methyloxy)-1h-Benzimidazol-1-Yl]-3-{[1-(2-Chlorophenyl)ethyl]oxy}-2-Thiophenecarboxamide | Ligand Info | |||||
| Structure Description | Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor | PDB:2I40 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [93] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 R
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BLZ or .BLZ2 or .BLZ3 or :3BLZ;style chemicals stick;color identity;select .A:10 or .A:11 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:55 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:146; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.517
GLY11
4.212
TYR15
3.648
VAL18
3.682
ALA31
3.430
LYS33
3.737
GLU51
2.892
LEU55
4.731
VAL64
3.985
PHE80
3.359
GLU81
3.310
|
|||||
| Ligand Name: N-[4-(2,4-Dimethyl-1,3-thiazol-5-YL)pyrimidin-2-YL]-N'-hydroxyimidoformamide | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | PDB:1PXK | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [65] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CK3 or .CK32 or .CK33 or :3CK3;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2s)-1-(Dimethylamino)-3-(4-{[4-(6-Morpholin-4-Ylpyrazolo[1,5-B]pyridazin-3-Yl)pyrimidin-2-Yl]amino}phenoxy)propan-2-Ol | Ligand Info | |||||
| Structure Description | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | PDB:3EID | ||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | No | [94] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYTVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LR
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PO5 or .PO52 or .PO53 or :3PO5;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:16 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.398
GLY11
4.593
GLU12
3.449
GLY13
3.701
GLY16
4.902
VAL18
3.781
ALA31
3.804
LYS33
3.242
GLU51
4.374
VAL64
3.768
PHE80
3.528
|
|||||
| Ligand Name: 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine | Ligand Info | |||||
| Structure Description | Cdk2/CyclinA complexed with a imidazo triazin-2-amine | PDB:3EOC | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [95] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYTHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T2A or .T2A2 or .T2A3 or :3T2A;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine | Ligand Info | |||||
| Structure Description | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | PDB:3EJ1 | ||||
| Method | X-ray diffraction | Resolution | 3.22 Å | Mutation | No | [94] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYTHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5BP or .5BP2 or .5BP3 or :35BP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | PDB:4EK4 | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | Yes | [96] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 THEVVTLWYR 169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL 219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY 269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1CK or .1CK2 or .1CK3 or :31CK;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(2-Fluorophenyl)-N-(Pyridin-4-Ylmethyl)pyrazolo[1,5-A]pyrimidin-7-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3I | ||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SCF or .SCF2 or .SCF3 or :3SCF;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-[(2-Amino-6,9-dihydro-1H-purin-6-YL)oxy]-3-methyl-2-butanol | Ligand Info | |||||
| Structure Description | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine | PDB:1GZ8 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [21] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MBP or .MBP2 or .MBP3 or :3MBP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-((3-Bromo-5-O-Tolylpyrazolo[1,5-A]pyrimidin-7-Ylamino)methyl)pyridine 1-Oxide | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3Q | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 THEVVTLWYR 169 APEILLGKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5SC or .5SC2 or .5SC3 or :35SC;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:20 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
3.694
ILE10
3.272
GLY11
3.945
GLU12
3.760
GLY13
3.854
VAL18
3.821
LYS20
4.299
ALA31
3.529
LYS33
3.096
VAL64
3.874
PHE80
3.519
|
|||||
| Ligand Name: (3z)-2-Oxo-3-[2-(4-Sulfamoylphenyl)hydrazinylidene]-2,3-Dihydro-1h-Indole-5-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKU | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | Yes | [97] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .60K or .60K2 or .60K3 or :360K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:13 or .A:18 or .A:25 or .A:26 or .A:27 or .A:28 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:146; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
2.693
GLY11
4.877
GLY13
4.988
VAL18
2.626
LEU25
2.395
THR26
2.702
GLY27
4.977
GLU28
2.958
ALA31
2.704
LYS33
1.719
VAL64
2.518
PHE80
2.372
GLU81
1.979
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3R | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6SC or .6SC2 or .6SC3 or :36SC;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-{[2-(1H-Indol-3-YL)ethyl]amino}-5-nitrobenzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of CDK2 in complex with TW8672 | PDB:7RWF | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [98] |
| PDB Sequence |
FMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 THEVVTLWYR169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI 209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG 259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7TW or .7TW2 or .7TW3 or :37TW;style chemicals stick;color identity;select .A:33 or .A:35 or .A:52 or .A:55 or .A:58 or .A:63 or .A:64 or .A:66 or .A:76 or .A:78 or .A:80 or .A:117 or .A:118 or .A:123 or .A:144 or .A:145 or .A:146 or .A:148 or .A:149 or .A:152 or .A:154; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS33
2.606
ILE35
3.576
ILE52
3.376
LEU55
3.221
LEU58
2.899
ILE63
3.595
VAL64
3.521
LEU66
4.237
LEU76
4.339
LEU78
3.431
PHE80
3.485
|
|||||
| Ligand Name: 3-Methyl-N-(Pyridin-4-Ylmethyl)imidazo[1,2-A]pyrazin-8-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3H | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SCE or .SCE2 or .SCE3 or :3SCE;style chemicals stick;color identity;select .A:8 or .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3F | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SC8 or .SC82 or .SC83 or :3SC8;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | PDB:4FKG | ||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | Yes | [99] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGRTYTHE162 VVTLWYRAPE 172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP 222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN 272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4CK or .4CK2 or .4CK3 or :34CK;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-Cyclopropyl-1h-Pyrazol-5-Yl)-2-[4-(Thiophen-2-Yl)phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | PDB:4EK6 | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [100] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKISTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AEVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .10K or .10K2 or .10K3 or :310K;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chloro-N~4~-[4-(2,4-Dimethyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N~1~,N~1~-Dimethylbenzene-1,4-Diamine | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor | PDB:4FKO | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [101] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20K or .20K2 or .20K3 or :320K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(2-Fluorophenyl)-N-(Pyridin-3-Ylmethyl)imidazo[1,2-A]pyrazin-8-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3G | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 THEVVTLWYR 169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL 219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY 269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SC9 or .SC92 or .SC93 or :3SC9;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(4-{[(Z)-(7-Oxo-6,7-Dihydro-8h-[1,3]thiazolo[5,4-E]indol-8-Ylidene)methyl]amino}phenyl)sulfonyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKS | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [102] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .46K or .46K2 or .46K3 or :346K;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.861
LYS9
3.928
ILE10
2.543
GLY11
4.352
GLY13
3.681
THR14
4.831
VAL18
2.818
ALA31
2.533
LYS33
2.352
VAL64
2.478
PHE80
2.322
GLU81
1.896
|
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| Ligand Name: (2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]pyrimidin-4-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | PDB:1H00 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEYGVVYKAR22 NKLTGEVVAL32 KKIVPSTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AEVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FCP or .FCP2 or .FCP3 or :3FCP;style chemicals stick;color identity;select .A:10 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]pyrimidin-4-YL}amino)phenoxy]-3-(dimethylamino)propan-2-OL | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | PDB:1H00 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEYGVVYKAR22 NKLTGEVVAL32 KKIVPSTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AEVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAP or .FAP2 or .FAP3 or :3FAP;style chemicals stick;color identity;select .A:10 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]- | Ligand Info | |||||
| Structure Description | CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE | PDB:1URW | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [103] |
| PDB Sequence |
MENFQKVEKI
10 GEYGVVYKAR22 NKLTGEVVAL32 KKITAIREIS53 LLKELNHPNI63 VKLLDVIHTE 73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ113 GLAFCHSHRV 123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAVV164 TLWYRAPEIL174 LGCKYYSTAV 184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP 234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP 284 FFQDVTKPVP294 HLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I1P or .I1P2 or .I1P3 or :3I1P;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-{[4-([Amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKP | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [104] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFVVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LS5 or .LS52 or .LS53 or :3LS5;style chemicals stick;color identity;select .A:8 or .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(4-Imidazo[1,2-A]pyridin-3-ylpyrimidin-2-YL)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | PDB:1OIT | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [105] |
| PDB Sequence |
NFQKVEKIGE
12 GTYGVVYKAR22 NKLGEVVALK33 KITAIREISL54 LKELNHPNIV64 KLLDVIHTEN 74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG114 LSFCHSHRVL 124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAVVT165 LWYRAPEILL175 GCKYYSTAVD 185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV225 VWPGVTSMPD 235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI275 SAKAALAHPF 285 FQDVTKPVPH295 LRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HDT or .HDT2 or .HDT3 or :3HDT;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor | PDB:4FKI | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [106] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGRTYTH161 EVVTLWYRAP 171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .09K or .09K2 or .09K3 or :309K;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:20 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | PDB:4EK5 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [107] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 THEVVTLWYR 169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL 219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY 269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .03K or .03K2 or .03K3 or :303K;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[2-(Dimethylamino)ethyl]-4-{[(Z)-(2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene)methyl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKT | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [108] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFEVVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .48K or .48K2 or .48K3 or :348K;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | PDB:4ACM | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [109] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YG or .7YG2 or .7YG3 or :37YG;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
4.843
LYS9
3.713
ILE10
2.649
GLY11
3.547
GLY13
3.717
THR14
4.411
VAL18
3.524
ALA31
3.344
LYS33
3.440
VAL64
3.274
PHE80
3.260
GLU81
1.776
|
|||||
| Ligand Name: 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3N | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LAVVTLWYRA170 PEILLGKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SCZ or .SCZ2 or .SCZ3 or :3SCZ;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-Cyclopropyl-1h-Pyrazol-5-Yl)-2-[4-(2-Pyrrolidin-1-Ylethoxy)phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | PDB:4FKJ | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [110] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .11K or .11K2 or .11K3 or :311K;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3J | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAHEVVTL166 WYRAPEILLG 176 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SCJ or .SCJ2 or .SCJ3 or :3SCJ;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Bromo-6-Phenyl-N-(Pyrimidin-5-Ylmethyl)imidazo[1,2-A]pyridin-8-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3L | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARVTLWYRA170 PEILLGKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SCW or .SCW2 or .SCW3 or :3SCW;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(2,3-Dichlorophenyl)-N-(Pyridin-4-Ylmethyl)-3-Thiocyanatopyrazolo[1,5-A]pyrimidin-7-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3P | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3SC or .3SC2 or .3SC3 or :33SC;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU8
4.905
ILE10
3.548
GLY11
4.480
GLU12
4.641
GLY13
4.220
VAL18
4.030
ALA31
3.248
LYS33
3.831
VAL64
4.295
PHE80
3.399
GLU81
3.151
|
|||||
| Ligand Name: (3z)-N-[2-(1h-Imidazol-4-Yl)ethyl]-2-Oxo-3-[2-(4-Sulfamoylphenyl)hydrazinylidene]-2,3-Dihydro-1h-Indole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKV | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [111] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLAREVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .61K or .61K2 or .61K3 or :361K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Bromo-5-Phenyl-N-(Pyrimidin-5-Ylmethyl)pyrazolo[1,5-A]pyridin-7-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3K | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAEVVTLW167 YRAPEILLGK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SCQ or .SCQ2 or .SCQ3 or :3SCQ;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor | PDB:4EK8 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [112] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFEVVTLW167 YRAPEILLGC 177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .16K or .16K2 or .16K3 or :316K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24 | PDB:7QHL | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [113] |
| PDB Sequence |
MENFQKVEKI
10 GEVVYKARNK24 LTGEVVALKK34 IRLDTEGVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 HEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D5P or .D5P2 or .D5P3 or :3D5P;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N'-[4-(2-Amino-4-Methyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N,N-Dimethylbenzene-1,4-Diamine | Ligand Info | |||||
| Structure Description | Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor | PDB:3SW4 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [114] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .18K or .18K2 or .18K3 or :318K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-((2-Aminopyrimidin-5-Yl)methyl)-5-(2,6-Difluorophenyl)-3-Ethylpyrazolo[1,5-A]pyrimidin-7-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3M | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAHEVVTL166 WYRAPEILLG 176 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR217 TLGTPDEVVW 227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML267 HYDPNKRISA 277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SCX or .SCX2 or .SCX3 or :3SCX;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU8
3.915
ILE10
3.402
GLY11
3.734
GLU12
4.305
GLY13
3.948
VAL18
3.533
ALA31
3.272
LYS33
4.558
VAL64
4.080
PHE80
3.206
GLU81
3.046
|
|||||
| Ligand Name: Oxindole-Based Inhibitor 78 | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKQ | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [115] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .42K or .42K2 or .42K3 or :342K;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | PDB:1H08 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGHEVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BYP or .BYP2 or .BYP3 or :3BYP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-1-{4-[(4-Anilino-5-bromopyrimidin-2-YL)amino]phenoxy}-3-(dimethylamino)propan-2-OL | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | PDB:1H08 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGHEVVT165 LWYRAPEILL 175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV 225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI 275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BWP or .BWP2 or .BWP3 or :3BWP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:92 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.230
GLY11
3.676
GLU12
4.826
GLY13
4.494
VAL18
3.757
ALA31
3.372
VAL64
3.803
PHE80
3.398
GLU81
3.342
PHE82
3.738
LEU83
3.103
|
|||||
| Ligand Name: (5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol | Ligand Info | |||||
| Structure Description | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | PDB:2R3O | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [29] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2SC or .2SC2 or .2SC3 or :32SC;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methylpropyl (3z)-2-Oxo-3-[2-(4-Sulfamoylphenyl)hydrazinylidene]-2,3-Dihydro-1h-Indole-5-Carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKW | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [116] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLAVVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .62K or .62K2 or .62K3 or :362K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-cyclohexyl-6H-imidazo[1,2-c]pyrimidin-5-one | Ligand Info | |||||
| Structure Description | CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | PDB:7ACK | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [117] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R7B or .R7B2 or .R7B3 or :3R7B;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide | Ligand Info | |||||
| Structure Description | Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2 | PDB:3IGG | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [118] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EFQ or .EFQ2 or .EFQ3 or :3EFQ;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{1-[cis-3-(Acetylamino)cyclobutyl]-1h-Imidazol-4-Yl}-2-(4-Methoxyphenyl)acetamide | Ligand Info | |||||
| Structure Description | Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2 | PDB:3IG7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [118] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EFP or .EFP2 or .EFP3 or :3EFP;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N~4~-[4-(2,4-Dimethyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N~1~,N~1~-Dimethyl-2-Nitrobenzene-1,4-Diamine | Ligand Info | |||||
| Structure Description | Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor | PDB:3SW7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [119] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LAVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .19K or .19K2 or .19K3 or :319K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with a benzimidazopyrimidine | PDB:4BZD | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [120] |
| PDB Sequence |
MENFQKVEKI
10 GEGYGVVYKA21 RNKLTGEVVA31 LKKIRLVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D6I or .D6I2 or .D6I3 or :3D6I;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: ((2-Bromo-4-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-YL}amino)acetonitrile | Ligand Info | |||||
| Structure Description | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | PDB:1H07 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARPVRTYTH161 EVVTLWYRAP 171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MFP or .MFP2 or .MFP3 or :3MFP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:92 or .A:131 or .A:132 or .A:133 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.725
GLY11
4.411
GLU12
4.453
GLY13
4.203
VAL18
3.345
ALA31
3.387
LYS33
4.363
VAL64
3.926
PHE80
3.653
GLU81
2.792
PHE82
3.625
LEU83
2.449
|
|||||
| Ligand Name: 6-(3-Chlorophenyl)-2-{[(2s)-3-(4-Hydroxyphenyl)-1-Methoxy-1-Oxopropan-2-Yl]carbamoyl}quinoline-4-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor | PDB:4NJ3 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [121] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLAREVVTLW167 YRAPEILLGK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHLRL298
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2KD or .2KD2 or .2KD3 or :32KD;style chemicals stick;color identity;select .A:10 or .A:15 or .A:18 or .A:31 or .A:33 or .A:55 or .A:58 or .A:63 or .A:64 or .A:65 or .A:66 or .A:78 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:123 or .A:131 or .A:132 or .A:134 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
4.208
TYR15
4.059
VAL18
3.429
ALA31
3.403
LYS33
3.144
LEU55
3.391
LEU58
3.692
ILE63
4.108
VAL64
3.424
LYS65
4.824
LEU66
3.844
LEU78
3.394
PHE80
3.217
GLU81
2.586
|
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| Ligand Name: 2-{4-[4-({4-[2-Methyl-1-(1-Methylethyl)-1h-Imidazol-5-Yl]pyrimidin-2-Yl}amino)phenyl]piperazin-1-Yl}-2-Oxoethanol | Ligand Info | |||||
| Structure Description | CDK2 in complex with an imidazole piperazine | PDB:2VV9 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [122] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLAVVTLWYR169 APEILLGCKY 179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL219 GTPDEVVWPG 229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY269 DPNKRISAKA 279 ALAHPFFQDV289 TKPVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IM9 or .IM92 or .IM93 or :3IM9;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 8-(2,2-Dioxo-1,3-dihydro-benzo[c]thiophene-5-ylamino-methylene)-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one | Ligand Info | |||||
| Structure Description | Crystal structure of the cdk2 in complex with oxindole inhibitor | PDB:4FKR | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [123] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .45K or .45K2 or .45K3 or :345K;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 1-(Dimethylamino)-3-(4-{{4-(2-methylimidazo[1,2-A]pyridin-3-YL)pyrimidin-2-YL]amino}phenoxy)propan-2-OL | Ligand Info | |||||
| Structure Description | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | PDB:1OIR | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [105] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKIRLTAIR50 EISLLKELNH60 PNIVKLLDVI 70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ110 LLQGLAFCHS 120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT160 HEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HDY or .HDY2 or .HDY3 or :3HDY;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (2r)-2-{[7-(Benzylamino)-3-(Propan-2-Yl)-1h-Pyrazolo[4,3-D]pyrimidin-5-Yl]amino}butan-1-Ol | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine. | PDB:3PJ8 | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [124] |
| PDB Sequence |
GMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRETE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .404 or .4042 or .4043 or :3404;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea | Ligand Info | |||||
| Structure Description | Human CDK2 with type II inhibitor | PDB:5A14 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [125] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVTLWYRAPE 172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP 222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN 272 KRISAKAALA282 HPFFQDVTKP292 VPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LQ5 or .LQ52 or .LQ53 or :3LQ5;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:51 or .A:54 or .A:55 or .A:58 or .A:63 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:118 or .A:123 or .A:124 or .A:125 or .A:126 or .A:134 or .A:143 or .A:144 or .A:145 or .A:146 or .A:152 or .A:209 or .A:213 or .A:237 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
4.107
VAL18
3.507
ALA31
3.439
LYS33
3.978
GLU51
2.828
LEU54
3.733
LEU55
3.793
LEU58
3.544
ILE63
3.621
VAL64
3.556
PHE80
3.306
GLU81
3.255
PHE82
3.395
LEU83
2.822
CYS118
4.678
VAL123
3.310
LEU124
2.951
|
|||||
| Ligand Name: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Ligand Info | |||||
| Structure Description | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | PDB:6OQI | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [126] |
| PDB Sequence |
FMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N14 or .N142 or .N143 or :3N14;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-(1-Cyclopropyl-2-Methyl-1h-Imidazol-5-Yl)pyrimidin-2-Yl]amino}-N-Methylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c | PDB:2W06 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [62] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFEVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FRV or .FRV2 or .FRV3 or :3FRV;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(Cyclohexylmethoxy)-8-isopropyl-9H-purin-2-amine | Ligand Info | |||||
| Structure Description | CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2 | PDB:1W8C | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [127] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N69 or .N692 or .N693 or :3N69;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | PDB:6GVA | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [128] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVT
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FCQ or .FCQ2 or .FCQ3 or :3FCQ;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU8
3.315
LYS9
3.850
ILE10
3.437
GLY11
4.170
GLU12
4.905
VAL18
3.525
ALA31
3.441
LYS33
4.708
VAL64
4.011
PHE80
3.693
GLU81
2.840
|
|||||
| Ligand Name: N-(4-{[(3s)-3-(Dimethylamino)pyrrolidin-1-Yl]carbonyl}phenyl)-5-Fluoro-4-[2-Methyl-1-(1-Methylethyl)-1h-Imidazol-5-Yl]pyrimidin-2-Amine | Ligand Info | |||||
| Structure Description | CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b | PDB:2W17 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [129] |
| PDB Sequence |
MENFQKVEKI
10 GETYGVVYKA21 RNKLTGEVVA31 LKKIRLDVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTEKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LAVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I19 or .I192 or .I193 or :3I19;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol | Ligand Info | |||||
| Structure Description | CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 | PDB:6RIJ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [130] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4W or .K4W2 or .K4W3 or :3K4W;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU8
2.468
LYS9
4.540
ILE10
3.370
GLY11
4.171
GLU12
3.565
GLY13
4.187
VAL18
3.683
ALA31
3.581
LYS33
4.701
VAL64
3.774
PHE80
3.721
GLU81
3.363
|
|||||
| Ligand Name: (2R)-1-(Dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-YL)amino]phenoxy}propan-2-OL | Ligand Info | |||||
| Structure Description | CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR | PDB:1V1K | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [31] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3FP or .3FP2 or .3FP3 or :33FP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.570
GLY11
3.178
GLU12
3.261
GLY13
3.321
THR14
4.990
GLY16
4.455
VAL18
2.515
ALA31
3.501
LYS33
4.963
VAL64
4.570
PHE80
4.634
GLU81
3.346
|
|||||
| Ligand Name: N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide | Ligand Info | |||||
| Structure Description | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | PDB:1OIQ | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [105] |
| PDB Sequence |
MENFQKVEKI
10 GGVVYKARNK24 LTGEVVALKK34 ITAIREISLL55 KELNHPNIVK65 LLDVIHTLYL 78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC118 HSHRVLHRDL 128 KPQNLLINTE138 GAIKLADFGL148 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA 194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA 244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP 294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HDU or .HDU2 or .HDU3 or :3HDU;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide | Ligand Info | |||||
| Structure Description | Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | PDB:5LMK | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [131] |
| PDB Sequence |
> Chain A
SMENFQKVEK 9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT41 EGVPSTAIRE51 ISLLKELNHP 61 NIVKLLDVIH71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL 111 LQGLAFCHSH121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYHE 162 VVTLWYRAPE172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL 212 FRIFRTLGTP222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL 262 LSQMLHYDPN272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL> Chain C SMENFQKVEK 9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK 291 PVPHL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6ZK or .6ZK2 or .6ZK3 or :36ZK;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:20 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .C:8 or .C:10 or .C:11 or .C:12 or .C:13 or .C:18 or .C:31 or .C:64 or .C:80 or .C:81 or .C:82 or .C:83 or .C:84 or .C:85 or .C:86 or .C:89 or .C:129 or .C:131 or .C:132 or .C:134; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU8[A]
4.527
ILE10[A]
3.238
GLY11[A]
4.226
GLU12[A]
3.499
GLY13[A]
4.039
VAL18[A]
4.055
LYS20[A]
4.863
ALA31[A]
3.319
VAL64[A]
4.553
PHE80[A]
3.654
GLU81[A]
3.345
PHE82[A]
3.538
LEU83[A]
2.883
HIS84[A]
3.356
GLN85[A]
3.800
ASP86[A]
3.954
LYS89[A]
3.937
LYS129[A]
3.495
GLN131[A]
3.593
ASN132[A]
4.306
LEU134[A]
3.500
GLU8[C]
4.226
ILE10[C]
3.642
GLY11[C]
4.123
GLU12[C]
3.643
GLY13[C]
4.417
VAL18[C]
3.946
ALA31[C]
3.478
VAL64[C]
4.714
PHE80[C]
3.661
GLU81[C]
3.187
PHE82[C]
3.581
LEU83[C]
2.882
HIS84[C]
3.496
GLN85[C]
3.606
ASP86[C]
3.578
LYS89[C]
3.527
LYS129[C]
3.781
GLN131[C]
3.633
ASN132[C]
4.536
LEU134[C]
3.551
|
|||||
| Ligand Name: 3-({2-[(4-{[6-(Cyclohexylmethoxy)-9H-purin-2-YL]amino}phenyl)sulfonyl]ethyl}amino)propan-1-OL | Ligand Info | |||||
| Structure Description | Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271 | PDB:2G9X | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [132] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NU5 or .NU52 or .NU53 or :3NU5;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide | Ligand Info | |||||
| Structure Description | CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 | PDB:7B7S | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [133] |
| PDB Sequence |
MENFQKVEKI
10 GEGTVVYKAR22 NKLTGEVVAL32 KKIRLDTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHNKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T1T or .T1T2 or .T1T3 or :3T1T;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol | Ligand Info | |||||
| Structure Description | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8 | PDB:3DDP | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [3] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RC8 or .RC82 or .RC83 or :3RC8;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU8
3.237
LYS9
4.002
ILE10
3.299
GLY11
3.564
GLU12
3.938
GLY13
4.108
VAL18
3.835
ALA31
3.376
LYS33
4.743
VAL64
3.631
PHE80
3.406
|
|||||
| Ligand Name: (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol | Ligand Info | |||||
| Structure Description | Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 | PDB:3DOG | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [134] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NNN or .NNN2 or .NNN3 or :3NNN;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [1-[3-Fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol | Ligand Info | |||||
| Structure Description | The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 | PDB:7VDU | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [135] |
| PDB Sequence |
GAMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKIRLPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .65L or .65L2 or .65L3 or :365L;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine | Ligand Info | |||||
| Structure Description | CDK2 IN COMPLEX WITH COMPOUND 4 | PDB:7RA5 | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [136] |
| PDB Sequence |
GAMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLAVVTLWY168 RAPEILLGCK 178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT218 LGTPDEVVWP 228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH268 YDPNKRISAK 278 AALAHPFFQD288 VTKPVPHL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3I3 or .3I32 or .3I33 or :33I3;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Methoxy-4-{3-[4-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline | Ligand Info | |||||
| Structure Description | CDK-2 with indazole inhibitor 17 bound at its active site | PDB:3EZR | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [137] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFT165 LWYRAPEILL175 GCKYYSTAVD 185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI215 FRTLGTPDEV225 VWPGVTSMPD 235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ265 MLHYDPNKRI275 SAKAALAHPF 285 FQDVTKPVPH295 LRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EZR or .EZR2 or .EZR3 or :3EZR;style chemicals stick;color identity;select .A:10 or .A:18 or .A:25 or .A:26 or .A:27 or .A:28 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:143 or .A:144 or .A:145 or .A:146; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.171
VAL18
4.754
LEU25
3.281
THR26
3.633
GLY27
4.264
GLU28
3.696
ALA31
3.330
LYS33
3.310
VAL64
3.567
PHE80
3.033
GLU81
2.617
PHE82
3.458
|
|||||
| Ligand Name: (5e)-5-(Quinolin-6-Ylmethylidene)-2-[(Thiophen-2-Ylmethyl)amino]-1,3-Thiazol-4(5h)-One | Ligand Info | |||||
| Structure Description | Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | PDB:4EOP | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [2] |
| PDB Sequence |
PGSMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKKIRL37 DTEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PENLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1RO or .1RO2 or .1RO3 or :31RO;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.723
GLY11
3.935
GLU12
3.540
GLY13
3.505
THR14
4.540
VAL18
3.771
ALA31
3.545
LYS33
3.455
VAL64
3.779
PHE80
3.848
GLU81
3.044
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-{3-[7-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline | Ligand Info | |||||
| Structure Description | CDK-2 with indazole inhibitor 9 bound at its active site | PDB:3EZV | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [137] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRVPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EZV or .EZV2 or .EZV3 or :3EZV;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145 or .A:146; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[[3-(4-Ethanoyl-1,4-Diazepan-1-Yl)phenyl]amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | PDB:4BCO | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [37] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T6Q or .T6Q2 or .T6Q3 or :3T6Q;style chemicals stick;color identity;select .A:8 or .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:20 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU8
2.698
ILE10
3.720
GLU12
4.318
GLY13
3.432
THR14
4.340
VAL18
3.827
LYS20
3.216
ALA31
3.642
LYS33
4.354
VAL64
3.511
PHE80
3.123
GLU81
3.221
|
|||||
| Ligand Name: 3-[[5-Cyano-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidin-2-Yl]amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | PDB:4BCK | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [37] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TETEGVPSTA48 IREISLLKEL 58 NHPNIVKLLD68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL 108 FQLLQGLAFC118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT 158 YHEVVTLWYR169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI 209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG 259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T3E or .T3E2 or .T3E3 or :3T3E;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 9-Amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol | Ligand Info | |||||
| Structure Description | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B | PDB:3BHV | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [36] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VAR or .VAR2 or .VAR3 or :3VAR;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-{[3-(1,4-Diazepan-1-yl)phenyl]amino}-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | PDB:4BCP | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [138] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T3C or .T3C2 or .T3C3 or :3T3C;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.178
GLY11
4.111
GLU12
4.462
GLY13
3.485
THR14
4.384
VAL18
3.751
ALA31
3.670
LYS33
4.380
VAL64
3.328
PHE80
3.142
GLU81
3.255
|
|||||
| Ligand Name: 4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | PDB:4BCQ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [37] |
| PDB Sequence |
PGSMENFQKV
7 EKIGVVYKAR22 NKLTGEVVAL32 KKIRLDTETE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TJF or .TJF2 or .TJF3 or :3TJF;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-(4-Methyl-2-Methylimino-3h-1,3-Thiazol-5-Yl)-2-[(4-Methyl-3-Morpholin-4-Ylsulfonyl-Phenyl)amino]pyrimidine-5-Carbonitrile | Ligand Info | |||||
| Structure Description | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | PDB:4BCM | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [37] |
| PDB Sequence |
PGSMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKKIRL37 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T7Z or .T7Z2 or .T7Z3 or :3T7Z;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | PDB:1OIU | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [39] |
| PDB Sequence |
PGSMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKKIRL37 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLR
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N76 or .N762 or .N763 or :3N76;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(Cyclohexylmethoxy)-8-(Trifluoromethyl)-9h-Purin-2-Amine | Ligand Info | |||||
| Structure Description | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | PDB:4CFN | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [127] |
| PDB Sequence |
PGSMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKKIRL37 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JYM or .JYM2 or .JYM3 or :3JYM;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(2-Chloro-5-Methylphenyl){6-[(4-{[(2r)-3-(Dimethylamino)-2-Hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-Yl}amino]acetonitrile | Ligand Info | |||||
| Structure Description | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR | PDB:2IW6 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [139] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLTE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKTFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QQ2 or .QQ22 or .QQ23 or :3QQ2;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.821
GLY11
3.538
GLU12
3.373
GLY13
4.375
VAL18
3.688
ALA31
3.592
LYS33
4.694
GLU51
4.468
VAL64
3.970
PHE80
3.857
GLU81
3.308
|
|||||
| Ligand Name: 4-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)--benzamide | Ligand Info | |||||
| Structure Description | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | PDB:1OIY | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [39] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLTE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N41 or .N412 or .N413 or :3N41;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one | Ligand Info | |||||
| Structure Description | CDK2/CyclinA in complex with Flavopiridol | PDB:6GUB | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [10] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLTE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F9Z or .F9Z2 or .F9Z3 or :3F9Z;style chemicals stick;color identity;select .A:10 or .A:11 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-YL]amino}benzamide | Ligand Info | |||||
| Structure Description | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR | PDB:1OGU | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [140] |
| PDB Sequence |
PGSMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKKIRL37 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ST8 or .ST82 or .ST83 or :3ST8;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine | Ligand Info | |||||
| Structure Description | CDK2/CyclinA in complex with CGP74514A | PDB:6GUF | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [10] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLTE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .23D or .23D2 or .23D3 or :323D;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | Ligand Info | |||||
| Structure Description | Cdk2(WT) covalent adduct with D28 at C177 | PDB:5OO0 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [141] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIRVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9YZ or .9YZ2 or .9YZ3 or :39YZ;style chemicals stick;color identity;select .A:177 or .A:178 or .A:179 or .A:227 or .A:228 or .A:229 or .A:232 or .A:233 or .A:234 or .A:270 or .A:271 or .A:272; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | Ligand Info | |||||
| Structure Description | Cdk2(F80C) with Covalent Adduct TK22 at F80C | PDB:6YLK | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [142] |
| PDB Sequence |
GPLGSMENFQ
5 KVEKIGEGTY15 GVVYKARNKL25 TGEVVALKKI35 RLSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVCEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYTHEV 163 VTLWYRAPEI173 LLGAKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OY2 or .OY22 or .OY23 or :3OY2;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:32 or .A:33 or .A:64 or .A:66 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate | Ligand Info | |||||
| Structure Description | Cdk2(F80C) with Covalent Adduct TK37 at F80C | PDB:6YL1 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | Yes | [142] |
| PDB Sequence |
GPLGSMENFQ
5 KVEKIGEGTY15 GVVYKARNKL25 TGEVVALKKI35 RLSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVCEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 EVVTLWYRAP 171 EILLGAKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OWN or .OWN2 or .OWN3 or :3OWN;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:32 or .A:33 or .A:64 or .A:66 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.580
GLY11
3.721
GLU12
3.583
GLY13
4.075
VAL18
3.386
ALA31
3.242
LEU32
4.610
LYS33
3.757
VAL64
4.098
LEU66
4.837
LEU78
3.783
VAL79
3.992
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| Ligand Name: 1-(4-Ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one | Ligand Info | |||||
| Structure Description | Cdk2(F80C, C177A) with covalent ligand at F80C | PDB:5OO3 | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | Yes | [143] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIRLPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VCEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGAK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9ZB or .9ZB2 or .9ZB3 or :39ZB;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:32 or .A:33 or .A:64 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: methyl 1-propanoyl-3,4-dihydro-2H-quinoline-6-carboxylate | Ligand Info | |||||
| Structure Description | Cdk2(F80C, C177A) with covalent adduct at C80 | PDB:5OSM | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | Yes | [141] |
| PDB Sequence |
PLGSMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVCEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGAKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AEQ or .AEQ2 or .AEQ3 or :3AEQ;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:32 or .A:33 or .A:64 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Tert-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | Ligand Info | |||||
| Structure Description | Cdk2(WT) with covalent adduct at C177 | PDB:5OSJ | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [141] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIRLDEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AAK or .AAK2 or .AAK3 or :3AAK;style chemicals stick;color identity;select .A:177 or .A:178 or .A:179 or .A:227 or .A:228 or .A:229 or .A:232 or .A:233 or .A:270 or .A:271 or .A:272; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[2-Amino-6-(Cyclohexylmethoxy)-7h-Purin-8-Yl]-2-Methylphenol | Ligand Info | |||||
| Structure Description | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | PDB:4CFV | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [127] |
| PDB Sequence |
PGSMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKKIRL37 DTETEGVPST47 AIREISLLKE 57 LNHPNIVKLL67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY 107 LFQLLQGLAF117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR 157 TYHEVVTLWY168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE 208 IDQLFRIFRT218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED 258 GRSLLSQMLH268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .75X or .75X2 or .75X3 or :375X;style chemicals stick;color identity;select .A:10 or .A:12 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 6-(Cyclohexylmethoxy)-N-[4-(Ethylsulfonyl)phenyl]-9h-Purin-2-Amine | Ligand Info | |||||
| Structure Description | CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | PDB:5CYI | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [144] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .55S or .55S2 or .55S3 or :355S;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(4-pyrimidin-2-ylphenyl)propanamide | Ligand Info | |||||
| Structure Description | Cdk2(F80C, C177A) covalent adduct with C37 at F80C | PDB:5OO1 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [145] |
| PDB Sequence |
FQKVEKIGEG
13 TYGVVYKARN23 KLTGEVVALK33 KIRLDTETEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVCEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFVTLWYRA170 PEILLGAKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9Z2 or .9Z22 or .9Z23 or :39Z2;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:66 or .A:78 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[2-Azanyl-6-(Cyclohexylmethoxy)-7h-Purin-8-Yl]-2-Methyl-Benzoic Acid | Ligand Info | |||||
| Structure Description | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | PDB:4CFU | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [127] |
| PDB Sequence |
PPGSMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTEGVPSTA48 IREISLLKEL 58 NHPNIVKLLD68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL 108 FQLLQGLAFC118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT 158 YHEVVTLWYR169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI 209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG 259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2WC or .2WC2 or .2WC3 or :32WC;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-[2-Amino-6-(Cyclohexylmethoxy)-7h-Purin-8-Yl]-2-Methylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | PDB:4CFW | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [127] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TETEGVPSTA48 IREISLLKEL 58 NHPNIVKLLD68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL 108 FQLLQGLAFC118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT 158 YHEVVTLWYR169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI 209 DQLFRIFRTL219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG 259 RSLLSQMLHY269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SQ9 or .SQ92 or .SQ93 or :3SQ9;style chemicals stick;color identity;select .A:10 or .A:15 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 6-(Cyclohexylmethoxy)-8-(2-Methylphenyl)-9h-Purin-2-Amine | Ligand Info | |||||
| Structure Description | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | PDB:4CFM | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [127] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4QE or .4QE2 or .4QE3 or :34QE;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: CDK2 inhibitor 73 | Ligand Info | |||||
| Structure Description | CDK2/Cyclin A in complex with compound 73 | PDB:5NEV | ||||
| Method | X-ray diffraction | Resolution | 2.97 Å | Mutation | No | [146] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .72L or .72L2 or .72L3 or :372L;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-[(5-Bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide | Ligand Info | |||||
| Structure Description | Crystal Structure Analysis of human CDK2 and CCNA2 complex | PDB:7MKX | ||||
| Method | X-ray diffraction | Resolution | 3.08 Å | Mutation | No | [147] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZGY or .ZGY2 or .ZGY3 or :3ZGY;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
2.563
GLY11
3.579
GLU12
3.683
GLY13
3.506
THR14
4.922
VAL18
3.277
ALA31
3.508
LYS33
3.494
VAL64
4.181
PHE80
2.915
GLU81
2.529
|
|||||
| Ligand Name: 3-[2-Amino-6-(Cyclohexylmethoxy)-7h-Purin-8-Yl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | PDB:4CFX | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [127] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G6T or .G6T2 or .G6T3 or :3G6T;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite37 | PDB:6Q4G | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [41] |
| PDB Sequence |
MENFEKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HJK or .HJK2 or .HJK3 or :3HJK;style chemicals stick;color identity;select .A:10 or .A:11 or .A:13 or .A:14 or .A:15 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite36 | PDB:6Q4H | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [41] |
| PDB Sequence |
FMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HGH or .HGH2 or .HGH3 or :3HGH;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:129 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-Bromo-2-hydroxypyridine | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite6 | PDB:6Q49 | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [41] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 EVVTLWYRAP 171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT 221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP 271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HGQ or .HGQ2 or .HGQ3 or :3HGQ;style chemicals stick;color identity;select .A:226 or .A:245 or .A:264 or .A:267 or .A:268 or .A:269 or .A:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-iodo-3H-pyridin-2-one | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite7 | PDB:6Q48 | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [41] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGEVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HHQ or .HHQ2 or .HHQ3 or :3HHQ;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-[3-(Pyrimidin-4-ylamino)phenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite34 | PDB:6Q4J | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [41] |
| PDB Sequence |
FMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVRTY159 THEVVTLWYR 169 APEILLGCKY179 YSTAVDIWSL189 GCIFAEMVTR199 RALFPGDSEI209 DQLFRIFRTL 219 GTPDEVVWPG229 VTSMPDYKPS239 FPKWARQDFS249 KVVPPLDEDG259 RSLLSQMLHY 269 DPNKRISAKA279 ALAHPFFQDV289 TKPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HHB or .HHB2 or .HHB3 or :3HHB;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite38 | PDB:6Q4K | ||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [41] |
| PDB Sequence |
FMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HHW or .HHW2 or .HHW3 or :3HHW;style chemicals stick;color identity;select .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:104 or .A:197 or .A:209 or .A:213 or .A:217 or .A:241 or .A:243 or .A:254 or .A:255; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-Amino-6-iodopurine | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite33 | PDB:6Q4E | ||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [41] |
| PDB Sequence |
FMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGEVV164 TLWYRAPEIL 174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR214 IFRTLGTPDE 224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS264 QMLHYDPNKR 274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HH5 or .HH52 or .HH53 or :3HH5;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-(4-Bromo-2-methoxyphenyl)acetic acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite31 | PDB:6Q4D | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [41] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HHT or .HHT2 or .HHT3 or :3HHT;style chemicals stick;color identity;select .A:1 or .A:2 or .A:3 or .A:4 or .A:5 or .A:6 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:17 or .A:18 or .A:19 or .A:21 or .A:31 or .A:32 or .A:33 or .A:34 or .A:70 or .A:72 or .A:73 or .A:75 or .A:77 or .A:97 or .A:99 or .A:100 or .A:101 or .A:102 or .A:104 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:161 or .A:162 or .A:197 or .A:254 or .A:255; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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MET1
3.470
GLU2
3.516
ASN3
2.767
PHE4
2.870
GLN5
4.187
LYS6
3.129
LYS9
4.985
ILE10
4.212
GLY11
3.770
GLU12
3.792
GLY13
3.397
THR14
2.648
TYR15
4.886
VAL17
4.001
VAL18
3.959
TYR19
3.598
ALA21
4.211
ALA31
4.003
LEU32
3.217
LYS33
3.412
LYS34
2.756
ILE70
4.246
|
|||||
| Ligand Name: 2-[4-[(2-oxo-3H-pyridin-4-yl)oxy]phenyl]acetic acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite35 | PDB:6Q4I | ||||
| Method | X-ray diffraction | Resolution | 1.11 Å | Mutation | No | [41] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFLRTYT160 HEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HGK or .HGK2 or .HGK3 or :3HGK;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:81 or .A:82 or .A:83 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-Bromopyrimidine | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite13 | PDB:6Q4B | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [41] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HHN or .HHN2 or .HHN3 or :3HHN;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-Iodopyrimidine | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite14 | PDB:6Q4A | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | No | [41] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYTHEVVTL 166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HGW or .HGW2 or .HGW3 or :3HGW;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-Amino-4-bromopyridine | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite2 | PDB:6Q3F | ||||
| Method | X-ray diffraction | Resolution | 1.18 Å | Mutation | No | [41] |
| PDB Sequence |
SPEFMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HEW or .HEW2 or .HEW3 or :3HEW;style chemicals stick;color identity;select .A:124 or .A:126 or .A:149 or .A:150 or .A:178 or .A:179 or .A:180; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,6-Diaminopyridine | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite32 | PDB:6Q4F | ||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | No | [41] |
| PDB Sequence |
EFMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF 216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM 266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .26D or .26D2 or .26D3 or :326D;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-Bromo-1H-pyrazole | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite1 | PDB:6Q3C | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [41] |
| PDB Sequence |
ENFQKVEKIG
11 EGTYGVVYKA21 RNKLTGEVVA31 LKKIRPSTAI49 REISLLKELN59 HPNIVKLLDV 69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF109 QLLQGLAFCH 119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY159 THEVVTLWYR 169 APEILLGKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BYZ or .BYZ2 or .BYZ3 or :3BYZ;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol | Ligand Info | |||||
| Structure Description | CCT068127 in complex with CDK2 | PDB:5MHQ | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [42] |
| PDB Sequence |
PEFMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKIRLT47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LARAFGVPVR157 TYTHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKPVPHLR297 L
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8QT or .8QT2 or .8QT3 or :38QT;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(2-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-3-89 | PDB:4GCJ | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [148] |
| PDB Sequence |
LGSPEFMENF
4 QKVEKIGEGT14 YGVVYKARNK24 LTGEVVALKK34 IRLDTETEGV44 PSTAIREISL 54 LKELNHPNIV64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI 104 KSYLFQLLQG114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV 154 PVRTYTHEVV164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP 204 GDSEIDQLFR214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP 254 LDEDGRSLLS264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X64 or .X642 or .X643 or :3X64;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:32 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-{[(2-Aminopyrimidin-5-Yl)methyl]amino}-5-Nitro-4-{[2-(Piperazin-1-Yl)ethyl]amino}benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-2-80 | PDB:3RM6 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [149] |
| PDB Sequence |
MENFQKVEKI
10 GEGTGVVYKA21 RNKLTGEVVA31 LKKIRTEGVP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .18Z or .18Z2 or .18Z3 or :318Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Methoxyphenol | Ligand Info | |||||
| Structure Description | CDK2 ternary complex with JWS648 and ANS | PDB:3PXZ | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [43] |
| PDB Sequence |
SPEFMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWS or .JWS2 or .JWS3 or :3JWS;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(3-Aminopropyl)amino]-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-164 | PDB:3R73 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [150] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X87 or .X872 or .X873 or :3X87;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[3-(Morpholin-4-Yl)propyl]amino}-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-160 | PDB:3RAI | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [151] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X85 or .X852 or .X853 or :3X85;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:131 or .A:134; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phenol, 2-(4,6-diamino-1,3,5-triazin-2-yl)- | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L2 | PDB:3QQJ | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [152] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X11 or .X112 or .X113 or :3X11;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Bromo-1,8-naphthyridine | Ligand Info | |||||
| Structure Description | CDK2 in complex with FragLite16 | PDB:6Q4C | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [41] |
| PDB Sequence |
EFMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLP45 STAIREISLL55 KELNHPNIVK 65 LLDVIHTENK75 LYLVFEFLHQ85 DLKKFMDASA95 LTGIPLPLIK105 SYLFQLLQGL 115 AFCHSHRVLH125 RDLKPQNLLI135 NTEGAIKLAD145 FGLARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HH8 or .HH82 or .HH83 or :3HH8;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (5r)-5-(2-Methylbutan-2-Yl)-N-(4-Sulfamoylbenzyl)-4,5,6,7-Tetrahydro-2h-Indazole-3-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor NSK-MC2-55 | PDB:3QRT | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [153] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X14 or .X142 or .X143 or :3X14;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Fluorophenol | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor JWS-6-76 | PDB:3QZG | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [154] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X67 or .X672 or .X673 or :3X67;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{[(2-Aminopyrimidin-5-Yl)methyl]amino}-4-Chloro-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-142 | PDB:3QWJ | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [155] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X6A or .X6A2 or .X6A3 or :3X6A;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{[(2-Aminopyrimidin-5-Yl)methyl]amino}-4-[(2-Hydroxyethyl)amino]-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-190 | PDB:3QX2 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [156] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X63 or .X632 or .X633 or :3X63;style chemicals stick;color identity;select .A:10 or .A:11 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{[4-(Aminomethyl)benzyl]amino}-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-75 | PDB:3R7U | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [157] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X96 or .X962 or .X963 or :3X96;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor SU9516 | PDB:3PY0 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [43] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SU9 or .SU92 or .SU93 or :3SU9;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(4-Aminopiperidin-1-Yl)-2-{[(2-Aminopyrimidin-5-Yl)methyl]amino}-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-2-92 | PDB:3R83 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [158] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z14 or .Z142 or .Z143 or :3Z14;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(Hexylamino)-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-154 | PDB:3ROY | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [159] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .22Z or .22Z2 or .22Z3 or :322Z;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-({4-Carbamoyl-2-Nitro-5-[(Pyridin-3-Ylmethyl)amino]phenyl}amino)butanoic Acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-156 | PDB:3RPO | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [160] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .24Z or .24Z2 or .24Z3 or :324Z;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:131 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Chloro-5-Nitro-2-[(3,4,5-Trifluorobenzyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-140 | PDB:3R28 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [161] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XA0 or .XA02 or .XA03 or :3XA0;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:20 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Chloro-5-Nitro-2-[(Pyrimidin-5-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-126 | PDB:3QZI | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [162] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X72 or .X722 or .X723 or :3X72;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(3-Hydroxypropyl)amino]-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-158 | PDB:3R6X | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [163] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X84 or .X842 or .X843 or :3X84;style chemicals stick;color identity;select .A:10 or .A:11 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(3-Methoxypropyl)amino]-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-162 | PDB:3R71 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [164] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X86 or .X862 or .X863 or :3X86;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(4-Amino-5-Benzoyl-1,3-Thiazol-2-Yl)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-32 | PDB:3RAK | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 AVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .03Z or .03Z2 or .03Z3 or :303Z;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(3-Methoxybenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-34 | PDB:3RAL | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 AVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .04Z or .04Z2 or .04Z3 or :304Z;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:16 or .A:17 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.552
GLU12
4.031
GLY13
3.314
GLY16
3.695
VAL17
4.887
VAL18
3.639
ALA31
3.304
LYS33
3.444
VAL64
3.604
PHE80
3.706
GLU81
2.765
|
|||||
| Ligand Name: 4-{[4-Amino-5-(4-Methoxybenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-39 | PDB:3S1H | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 AVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .56Z or .56Z2 or .56Z3 or :356Z;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(Naphthalen-2-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-33 | PDB:3RMF | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLPST47 AIREISLLKE57 LNHPNIVKLL 67 DVIHTENKLY77 LVFEFLHQDL87 KKFMDASALT97 GIPLPLIKSY107 LFQLLQGLAF 117 CHSHRVLHRD127 LKPQNLLINT137 EGAIKLADFG147 LAVVTLWYRA170 PEILLGCKYY 180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG220 TPDEVVWPGV 230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD270 PNKRISAKAA 280 LAHPFFQDVT290 KPVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20Z or .20Z2 or .20Z3 or :320Z;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Nitro-2-[(4-Sulfamoylbenzyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-84 | PDB:3QXO | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [165] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X65 or .X652 or .X653 or :3X65;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Nitro-2-[(pyridin-3-ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L1 | PDB:3QQF | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [166] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X07 or .X072 or .X073 or :3X07;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Cyclohexylamino)-1,3-Thiazol-5-Yl](3-Nitrophenyl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-21 | PDB:3R9N | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z68 or .Z682 or .Z683 or :3Z68;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Cyclohexylamino)-1,3-Thiazol-5-Yl](Naphthalen-2-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-22 | PDB:3RAH | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O1Z or .O1Z2 or .O1Z3 or :3O1Z;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl][3-(Trifluoromethyl)phenyl]methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-49 | PDB:3RPR | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .25Z or .25Z2 or .25Z3 or :325Z;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5r)-5-Propyl-4,5,6,7-Tetrahydro-1h-Indazole-3-Carbohydrazide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor NSK-MC1-6 | PDB:3R8P | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [167] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z46 or .Z462 or .Z463 or :3Z46;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1H-indazole-3-carbohydrazide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L3-3 | PDB:3R8M | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [168] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGE162 VVTLWYRAPE 172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL212 FRIFRTLGTP 222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL262 LSQMLHYDPN 272 KRISAKAALA282 HPFFQDVTKP292 VPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z19 or .Z192 or .Z193 or :3Z19;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-134 | PDB:3R1Y | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [169] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X76 or .X762 or .X763 or :3X76;style chemicals stick;color identity;select .A:8 or .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{[(6-Chloropyridin-3-Yl)methyl]amino}-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-127 | PDB:3R1S | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [170] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X73 or .X732 or .X733 or :3X73;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(3-Aminobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-88 | PDB:3RPV | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .26Z or .26Z2 or .26Z3 or :326Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-71 | PDB:3RK7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .08Z or .08Z2 or .08Z3 or :308Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L4-14 | PDB:3S00 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z60 or .Z602 or .Z603 or :3Z60;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Prop-2-En-1-Ylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-1-137 | PDB:3QTQ | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X35 or .X352 or .X353 or :3X35;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(4-Sulfamoylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-132 | PDB:3QTU | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X44 or .X442 or .X443 or :3X44;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.450
GLU12
4.956
GLY13
3.063
THR14
4.421
GLY16
4.654
VAL18
3.452
ALA31
3.378
LYS33
3.783
VAL64
3.596
PHE80
3.659
GLU81
2.899
PHE82
3.559
|
|||||
| Ligand Name: (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L3 | PDB:3QQL | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [171] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X03 or .X032 or .X033 or :3X03;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(4-Hydroxybenzyl)amino]-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-91 | PDB:3RM7 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [172] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .19Z or .19Z2 or .19Z3 or :319Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Chloro-2-{[(2-Chloropyrimidin-5-Yl)methyl]amino}-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-150 | PDB:3QWK | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [173] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X62 or .X622 or .X623 or :3X62;style chemicals stick;color identity;select .A:8 or .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Chloro-2-{[(6-Chloropyridin-3-Yl)methyl]amino}-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-102 | PDB:3R1Q | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [174] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X75 or .X752 or .X753 or :3X75;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(2-Carbamoyl-4-Nitrophenyl)amino]methyl}benzoic Acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-74 | PDB:3R7I | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [175] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X9I or .X9I2 or .X9I3 or :3X9I;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(2-Methylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-3-96 | PDB:3SQQ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARRTYT160 HEVVTLWYRA 170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID210 QLFRIFRTLG 220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR260 SLLSQMLHYD 270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .99Z or .99Z2 or .99Z3 or :399Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-1-148 | PDB:3QTR | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X36 or .X362 or .X363 or :3X36;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-13 | PDB:3QTW | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X3A or .X3A2 or .X3A3 or :3X3A;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Prop-2-En-1-Ylamino)-1,3-Thiazol-5-Yl](Pyridin-4-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-1-136 | PDB:3R8Z | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z63 or .Z632 or .Z633 or :3Z63;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Propan-2-Ylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-74 | PDB:3RK9 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .09Z or .09Z2 or .09Z3 or :309Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L4-12 | PDB:3RJC | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .06Z or .06Z2 or .06Z3 or :306Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [4-Amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L4 | PDB:3QQK | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X02 or .X022 or .X023 or :3X02;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L2-2 | PDB:3QQH | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [176] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X0A or .X0A2 or .X0A3 or :3X0A;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (5r)-5-Tert-Butyl-4,5,6,7-Tetrahydro-1h-Indazole-3-Carbohydrazide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L3-4 | PDB:3R8L | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [177] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z30 or .Z302 or .Z303 or :3Z30;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{[(2-Aminopyrimidin-5-Yl)methyl]amino}-4-(Morpholin-4-Yl)-5-Nitrobenzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-2-88 | PDB:3R7Y | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [178] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z04 or .Z042 or .Z043 or :3Z04;style chemicals stick;color identity;select .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-(4-Amino-1,3,5-Triazin-2-Yl)-4-Hydroxybenzonitrile | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor JWS-6-260 | PDB:3QL8 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [179] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X01 or .X012 or .X013 or :3X01;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-Amino-2-(Phenylamino)-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-23 | PDB:3RZB | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .02Z or .02Z2 or .02Z3 or :302Z;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-Amino-2-[(4-Sulfamoylphenyl)amino]-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-40 | PDB:3RPY | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 AVVTLWYRAP171 EILLGCKYYS 181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ211 LFRIFRTLGT221 PDEVVWPGVT 231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS261 LLSQMLHYDP271 NKRISAKAAL 281 AHPFFQDVTK291 PVPHLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .27Z or .27Z2 or .27Z3 or :327Z;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-Amino-N-(3,5-Difluorophenyl)-2-[(4-Sulfamoylphenyl)amino]-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-143 | PDB:3R9O | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z71 or .Z712 or .Z713 or :3Z71;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:78 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145 or .A:148; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.535
GLU12
3.577
GLY13
3.670
THR14
4.733
VAL18
3.964
ALA31
3.279
LYS33
3.357
VAL64
3.560
LEU78
4.518
PHE80
3.299
GLU81
2.467
|
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| Ligand Name: 4-Chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor L2-5 | PDB:3QQG | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [180] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X06 or .X062 or .X063 or :3X06;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-Nitro-2-[(Pyrazin-2-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-67 | PDB:3R7E | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [181] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X88 or .X882 or .X883 or :3X88;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-12 | PDB:3QTS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVVVTL166 WYRAPEILLG 176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD206 SEIDQLFRIF216 RTLGTPDEVV 226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD256 EDGRSLLSQM266 LHYDPNKRIS 276 AKAALAHPFF286 QDVTKPVPHL296 RL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X46 or .X462 or .X463 or :3X46;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: [4-Amino-2-(Prop-2-En-1-Ylamino)-1,3-Thiazol-5-Yl](3-Nitrophenyl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-1-135 | PDB:3R8V | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z62 or .Z622 or .Z623 or :3Z62;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Chloro-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-78 | PDB:3QX4 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [182] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X4B or .X4B2 or .X4B3 or :3X4B;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5s)-N-Methyl-5-(2-Methylbutan-2-Yl)-4,5,6,7-Tetrahydro-2h-Indazole-3-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor NSK-MC1-12 | PDB:3QRU | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [183] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYTHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X19 or .X192 or .X193 or :3X19;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(4-Amino-5-Benzoyl-1,3-Thiazol-2-Yl)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-3-86 | PDB:3RNI | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .21Z or .21Z2 or .21Z3 or :321Z;style chemicals stick;color identity;select .A:8 or .A:10 or .A:13 or .A:18 or .A:20 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Amino-N-(3-Fluorophenyl)-2-[(4-Sulfamoylphenyl)amino]-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-135 | PDB:3R9D | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X6B or .X6B2 or .X6B3 or :3X6B;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:78 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Methoxy-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-124 | PDB:3QZH | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [184] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X69 or .X692 or .X693 or :3X69;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(3-Nitrobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-35 | PDB:3QTX | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X43 or .X432 or .X433 or :3X43;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:14 or .A:16 or .A:17 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.907
GLU12
4.574
GLY13
2.812
THR14
4.180
GLY16
4.112
VAL17
4.814
VAL18
3.044
ALA31
3.236
LYS33
2.987
VAL64
3.705
PHE80
3.647
GLU81
2.715
|
|||||
| Ligand Name: 4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-38 | PDB:3QU0 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X40 or .X402 or .X403 or :3X40;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Nitro-2-[(Pyridin-2-Ylmethyl)amino]benzamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor KVR-1-9 | PDB:3R7V | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [185] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z02 or .Z022 or .Z023 or :3Z02;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4,6-Diamino-1,3,5-Triazin-2-Yl)benzene-1,4-Diol | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor JWS-6-52 | PDB:3QZF | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [186] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X66 or .X662 or .X663 or :3X66;style chemicals stick;color identity;select .A:10 or .A:11 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(E)-(6-Hydroxy-2-Oxo-1,2-Dihydropyridin-3-Yl)diazenyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with NSC 134199 | PDB:4EZ3 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0S0 or .0S02 or .0S03 or :30S0;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(3-Fluorobenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-36 | PDB:3QTZ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X42 or .X422 or .X423 or :3X42;style chemicals stick;color identity;select .A:10 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-72 | PDB:3RK5 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .07Z or .07Z2 or .07Z3 or :307Z;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Cyclohexylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-73 | PDB:3RKB | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .12Z or .12Z2 or .12Z3 or :312Z;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Prop-2-En-1-Ylamino)-1,3-Thiazol-5-Yl](Naphthalen-2-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-1-132 | PDB:3R8U | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z31 or .Z312 or .Z313 or :3Z31;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-Amino-2-(Prop-2-En-1-Ylamino)-1,3-Thiazol-5-Yl](Pyridin-2-Yl)methanone | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-1-138 | PDB:3S0O | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLTEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFARAFGVP155 VRTYTHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .50Z or .50Z2 or .50Z3 or :350Z;style chemicals stick;color identity;select .A:10 or .A:12 or .A:13 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Amino-N-(2,6-Difluorophenyl)-2-[(4-Sulfamoylphenyl)amino]-1,3-Thiazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | CDK2 in complex with inhibitor RC-2-142 | PDB:3R9H | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [148] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z67 or .Z672 or .Z673 or :3Z67;style chemicals stick;color identity;select .A:10 or .A:13 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-Cyclopropyl-1H-pyrazol-5-YL)-2-(2-naphthyl)acetamide | Ligand Info | |||||
| Structure Description | Structure of CDK2/Cyclin A with PNU-292137 | PDB:1VYW | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [25] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .292 or .2922 or .2923 or :3292;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:20 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-N-[(3Z)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-YL)phenyl]propanamide | Ligand Info | |||||
| Structure Description | STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 | PDB:2BPM | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [187] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .529 or .5292 or .5293 or :3529;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:18 or .A:20 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-(Aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-E]indazole-3-carboxamide | Ligand Info | |||||
| Structure Description | STRUCTURE OF CDK2-CYCLIN A WITH PHA-404611 | PDB:2BKZ | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [188] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SBC or .SBC2 or .SBC3 or :3SBC;style chemicals stick;color identity;select .A:10 or .A:11 or .A:15 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N,1-Dimethyl-8-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}-1h-Pyrazolo[4,3-H]quinazoline-3-Carboxamide | Ligand Info | |||||
| Structure Description | Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor | PDB:2WXV | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [189] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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| Ligand Name: (3Z)-5-Acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-C]pyrazol-5-ium | Ligand Info | |||||
| Structure Description | STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 | PDB:2C4G | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [190] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 R |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .514 or .5142 or .5143 or :3514;style chemicals stick;color identity;select .A:10 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:89 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid | Ligand Info | |||||
| Structure Description | STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID | PDB:2WIP | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [5] |
| PDB Sequence |
PLVDMENFQK
6 VEKIGVVYKA21 RNKLTGEVVA31 LKKIRLDTET41 EGVPSTAIRE51 ISLLKELNHP 61 NIVKLLDVIH71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL 111 LQGLAFCHSH121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYTH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
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| References | Top | ||||
|---|---|---|---|---|---|
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| REF 2 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem Biol. 2012 Aug 24;19(8):1028-40. | ||||
| REF 3 | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene. 2008 Oct 2;27(44):5797-807. | ||||
| REF 4 | The Crystal Structure of UCN-01 in Complex with Phospho-CDK2/Cyclin A | ||||
| REF 5 | Identification of N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a potent, orally available cyclin dependent kinase inhibitor. J Med Chem. 2009 Aug 27;52(16):5152-63. | ||||
| REF 6 | N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. J Med Chem. 2004 Mar 25;47(7):1719-28. | ||||
| REF 7 | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design. J Med Chem. 2008 Aug 28;51(16):4986-99. | ||||
| REF 8 | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer. J Med Chem. 2021 Jul 8;64(13):9056-9077. | ||||
| REF 9 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J Med Chem. 2016 Jun 23;59(12):5650-60. | ||||
| REF 10 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol. 2019 Jan 17;26(1):121-130.e5. | ||||
| REF 11 | Optimization of 6,6-dimethyl pyrrolo[3,4-c]pyrazoles: Identification of PHA-793887, a potent CDK inhibitor suitable for intravenous dosing. Bioorg Med Chem. 2010 Mar 1;18(5):1844-53. | ||||
| REF 12 | Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science. 1998 Jul 24;281(5376):533-8. | ||||
| REF 13 | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J Med Chem. 2023 Feb 9;66(3):1928-1940. | ||||
| REF 14 | A novel pyrazolo[1,5-a]pyrimidine is a potent inhibitor of cyclin-dependent protein kinases 1, 2, and 9, which demonstrates antitumor effects in human tumor xenografts following oral administration. J Med Chem. 2010 Dec 23;53(24):8508-22. | ||||
| REF 15 | Multiple modes of ligand recognition: crystal structures of cyclin-dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenine. Proteins. 1995 Aug;22(4):378-91. | ||||
| REF 16 | Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases. Bioorg Med Chem Lett. 2005 Apr 1;15(7):1943-7. | ||||
| REF 17 | Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity. J Med Chem. 2006 Nov 2;49(22):6549-60. | ||||
| REF 18 | Briefly bound to activate: transient binding of a second catalytic magnesium activates the structure and dynamics of CDK2 kinase for catalysis. Structure. 2011 May 11;19(5):675-90. | ||||
| REF 19 | Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2. Nat Struct Biol. 1997 Oct;4(10):796-801. | ||||
| REF 20 | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. ACS Chem Biol. 2016 Jun 17;11(6):1710-9. | ||||
| REF 21 | Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives. J Med Chem. 2002 Aug 1;45(16):3381-93. | ||||
| REF 22 | Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7. | ||||
| REF 23 | Fragment-based lead discovery using X-ray crystallography. J Med Chem. 2005 Jan 27;48(2):403-13. | ||||
| REF 24 | Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase. J Med Chem. 2000 Jan 13;43(1):133-8. | ||||
| REF 25 | 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding. J Med Chem. 2004 Jun 17;47(13):3367-80. | ||||
| REF 26 | How tyrosine 15 phosphorylation inhibits the activity of cyclin-dependent kinase 2-cyclin A. J Biol Chem. 2007 Feb 2;282(5):3173-81. | ||||
| REF 27 | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg Med Chem Lett. 2010 Mar 15;20(6):1985-9. | ||||
| REF 28 | Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor | ||||
| REF 29 | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers. 2008 May;89(5):372-9. | ||||
| REF 30 | Structure of cyclin-dependent kinase 2 (CDK2) in complex with the specific and potent inhibitor CVT-313. Acta Crystallogr F Struct Biol Commun. 2020 Aug 1;76(Pt 8):350-356. | ||||
| REF 31 | Cyclin-dependent kinase 4 inhibitors as a treatment for cancer. Part 1: identification and optimisation of substituted 4,6-bis anilino pyrimidines. Bioorg Med Chem Lett. 2003 Sep 15;13(18):2955-60. | ||||
| REF 32 | Identification of novel purine and pyrimidine cyclin-dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profiles. J Med Chem. 2000 Jul 27;43(15):2797-804. | ||||
| REF 33 | Alternative binding modes of an inhibitor to two different kinases. Eur J Biochem. 2003 Aug;270(15):3174-81. | ||||
| REF 34 | Crystal structure of CDK2 IN complex with Inhibitor NU-6140 | ||||
| REF 35 | Inhibitor binding to active and inactive CDK2: the crystal structure of CDK2-cyclin A/indirubin-5-sulphonate. Structure. 2001 May 9;9(5):389-97. | ||||
| REF 36 | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases. Cancer Res. 2007 Sep 1;67(17):8325-34. | ||||
| REF 37 | Comparative structural and functional studies of 4-(thiazol-5-yl)-2-(phenylamino)pyrimidine-5-carbonitrile CDK9 inhibitors suggest the basis for isotype selectivity. J Med Chem. 2013 Feb 14;56(3):660-70. | ||||
| REF 38 | Halogen bonds form the basis for selective P-TEFb inhibition by DRB. Chem Biol. 2010 Sep 24;17(9):931-6. | ||||
| REF 39 | N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2. J Med Chem. 2004 Jul 15;47(15):3710-22. | ||||
| REF 40 | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nat Struct Biol. 2002 Oct;9(10):745-9. | ||||
| REF 41 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J Med Chem. 2019 Apr 11;62(7):3741-3752. | ||||
| REF 42 | Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor. Mol Oncol. 2018 Mar;12(3):287-304. | ||||
| REF 43 | Discovery of a potential allosteric ligand binding site in CDK2. ACS Chem Biol. 2011 May 20;6(5):492-501. | ||||
| REF 44 | Structure-based design and protein X-ray analysis of a protein kinase inhibitor. Bioorg Med Chem Lett. 2002 Jan 21;12(2):221-4. | ||||
| REF 45 | Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2) | ||||
| REF 46 | Automated harvesting and processing of protein crystals through laser photoablation. Acta Crystallogr D Struct Biol. 2016 Apr;72(Pt 4):454-66. | ||||
| REF 47 | Discovery of selective and noncovalent diaminopyrimidine-based inhibitors of epidermal growth factor receptor containing the T790M resistance mutation. J Med Chem. 2014 Dec 11;57(23):10176-91. | ||||
| REF 48 | Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. ACS Med Chem Lett. 2021 Jun 22;12(7):1108-1115. | ||||
| REF 49 | Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2) | ||||
| REF 50 | Cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains. ACS Chem Biol. 2013 Nov 15;8(11):2360-5. | ||||
| REF 51 | 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006 Nov 2;49(22):6500-9. | ||||
| REF 52 | Luciferin and derivatives as a DYRK selective scaffold for the design of protein kinase inhibitors. Eur J Med Chem. 2015 Apr 13;94:140-8. | ||||
| REF 53 | Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. 3. Structure activity relationships at C3(1,2). J Med Chem. 2002 Nov 21;45(24):5233-48. | ||||
| REF 54 | Discovery and characterization of 2-anilino-4- (thiazol-5-yl)pyrimidine transcriptional CDK inhibitors as anticancer agents. Chem Biol. 2010 Oct 29;17(10):1111-21. | ||||
| REF 55 | Detection of secondary binding sites in proteins using fragment screening. Proc Natl Acad Sci U S A. 2015 Dec 29;112(52):15910-5. | ||||
| REF 56 | Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of cyclin-dependent kinases. J Med Chem. 2004 Nov 18;47(24):5894-911. | ||||
| REF 57 | Structure-based drug design to the discovery of new 2-aminothiazole CDK2 inhibitors. J Mol Graph Model. 2006 Mar;24(5):341-8. | ||||
| REF 58 | Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3. Bioorg Med Chem Lett. 2004 Jan 19;14(2):343-6. | ||||
| REF 59 | From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors. Chembiochem. 2005 Mar;6(3):531-40. | ||||
| REF 60 | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4882-4. | ||||
| REF 61 | A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A. ACS Chem Biol. 2012 Apr 20;7(4):698-706. | ||||
| REF 62 | Imidazoles: SAR and development of a potent class of cyclin-dependent kinase inhibitors. Bioorg Med Chem Lett. 2008 Oct 15;18(20):5487-92. | ||||
| REF 63 | Inhibitor Selectivity for Cyclin-Dependent Kinase?7: A?Structural, Thermodynamic, and Modelling Study. ChemMedChem. 2017 Mar 7;12(5):372-380. | ||||
| REF 64 | The lab oddity prevails: discovery of pan-CDK inhibitor (R)-S-cyclopropyl-S-(4-{[4-{[(1R,2R)-2-hydroxy-1-methylpropyl]oxy}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)sulfoximide (BAY 1000394) for the treatment of cancer. ChemMedChem. 2013 Jul;8(7):1067-85. | ||||
| REF 65 | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop. Structure. 2003 Apr;11(4):399-410. | ||||
| REF 66 | Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor. Cell Mol Life Sci. 2005 Aug;62(15):1763-71. | ||||
| REF 67 | The cyclin-dependent kinases cdk2 and cdk5 act by a random, anticooperative kinetic mechanism. J Biol Chem. 2001 Dec 21;276(51):48292-9. | ||||
| REF 68 | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J Med Chem. 2004 Mar 25;47(7):1662-75. | ||||
| REF 69 | Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5122-6. | ||||
| REF 70 | Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. J Med Chem. 2002 Aug 29;45(18):3905-27. | ||||
| REF 71 | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Bioorg Med Chem Lett. 2005 Feb 15;15(4):863-7. | ||||
| REF 72 | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein. J Biol Chem. 2001 Jul 20;276(29):27548-54. | ||||
| REF 73 | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKKEpsilon kinases. Bioorg Med Chem Lett. 2012 Mar 1;22(5):2063-9. | ||||
| REF 74 | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J Med Chem. 2001 Dec 6;44(25):4339-58. | ||||
| REF 75 | A new series of potent oxindole inhibitors of CDK2. Bioorg Med Chem Lett. 2004 Feb 23;14(4):913-7. | ||||
| REF 76 | Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors. Bioorg Med Chem Lett. 2010 Oct 15;20(20):5984-7. | ||||
| REF 77 | Quinazolines as cyclin dependent kinase inhibitors. Bioorg Med Chem Lett. 2001 May 7;11(9):1157-60. | ||||
| REF 78 | Crystal structure of human cyclin-dependent kinase-2 complex with MK2 inhibitor TEI-I01800: insight into the selectivity. J Synchrotron Radiat. 2013 Nov;20(Pt 6):905-9. | ||||
| REF 79 | The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines. Mol Cancer Ther. 2004 Jan;3(1):1-9. | ||||
| REF 80 | REPLACE: a strategy for iterative design of cyclin-binding groove inhibitors. Chembiochem. 2006 Dec;7(12):1909-15. | ||||
| REF 81 | Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent. Chem Biol. 2000 Jan;7(1):51-63. | ||||
| REF 82 | Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design. Chem Biol. 2006 Feb;13(2):201-11. | ||||
| REF 83 | Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity. J Med Chem. 2009 Jan 22;52(2):379-88. | ||||
| REF 84 | 3-Hydroxychromones as cyclin-dependent kinase inhibitors: synthesis and biological evaluation. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1284-7. | ||||
| REF 85 | Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3880-5. | ||||
| REF 86 | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors. Science. 2001 Jan 5;291(5501):134-7. | ||||
| REF 87 | Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors. Bioorg Med Chem Lett. 2011 Jul 15;21(14):4203-5. | ||||
| REF 88 | Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors. Bioorg Med Chem Lett. 2008 Apr 1;18(7):2292-5. | ||||
| REF 89 | 3,5,6-Trisubstituted naphthostyrils as CDK2 inhibitors. Bioorg Med Chem Lett. 2003 Aug 4;13(15):2465-8. | ||||
| REF 90 | Macrocyclic aminopyrimidines as multitarget CDK and VEGF-R inhibitors with potent antiproliferative activities. ChemMedChem. 2007 Jan;2(1):63-77. | ||||
| REF 91 | Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717. J Med Chem. 2001 Feb 15;44(4):524-30. | ||||
| REF 92 | Design, synthesis, and evaluation of 2-methyl- and 2-amino-N-aryl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amines as ring-constrained 2-anilino-4-(thiazol-5-yl)pyrimidine cyclin-dependent kinase inhibitors. J Med Chem. 2010 Mar 11;53(5):2136-45. | ||||
| REF 93 | 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6236-40. | ||||
| REF 94 | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors. Bioorg Med Chem Lett. 2008 Nov 1;18(21):5758-62. | ||||
| REF 95 | Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6214-7. | ||||
| REF 96 | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | ||||
| REF 97 | Crystal structure of the cdk2 in complex with oxindole inhibitor | ||||
| REF 98 | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun. 2023 Jun 3;14(1):3213. | ||||
| REF 99 | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | ||||
| REF 100 | Crystal structure of the cdk2 in complex with aminopyrazole inhibitor | ||||
| REF 101 | Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor | ||||
| REF 102 | Crystal structure of the cdk2 in complex with oxindole inhibitor | ||||
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| REF 104 | Crystal structure of the cdk2 in complex with oxindole inhibitor | ||||
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| REF 106 | Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor | ||||
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| REF 108 | Crystal structure of the cdk2 in complex with oxindole inhibitor | ||||
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| REF 112 | Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor | ||||
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| REF 115 | Crystal structure of the cdk2 in complex with oxindole inhibitor | ||||
| REF 116 | Crystal structure of the cdk2 in complex with oxindole inhibitor | ||||
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| REF 150 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 151 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 152 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 153 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 154 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 155 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 156 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 157 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 158 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 159 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 160 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 161 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 162 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 163 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 164 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 165 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 166 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 167 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 168 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 169 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 170 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 171 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 172 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 173 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 174 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 175 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 176 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 177 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 178 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 179 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 180 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 181 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 182 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 183 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 184 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 185 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
| REF 186 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening | ||||
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| REF 190 | 3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: a new class of CDK2 inhibitors. Bioorg Med Chem Lett. 2006 Feb 15;16(4):1084-90. | ||||
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