Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonothreonine | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
| InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 3246323 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3QHW Structure of a pCDK2/CyclinA transition-state mimic | ||||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [1] |
| 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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| PDB ID: 4II5 Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [2] |
| 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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| PDB ID: 3QHR Structure of a pCDK2/CyclinA transition-state mimic | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [1] |
| 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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| PDB ID: 7KJS Crystal structure of CDK2/cyclin E in complex with PF-06873600 | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [3] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4EOR Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKKFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLR
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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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| PDB ID: 2CJM Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2UZE Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [6] |
| 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 .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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| PDB ID: 2UZL Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [6] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1JST PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [7] |
| 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 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 .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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| PDB ID: 2C6T Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.61 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 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2UZB Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [6] |
| 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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:50 or .A:126 or .A:148 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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| PDB ID: 2UZD Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | No | [6] |
| 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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:50 or .A:126 or .A:148 or .A:150 or .A:158 or .A:159 or .A:161 or .A:162 or .A:163 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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| PDB ID: 1FQ1 CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [9] |
| 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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .B:158 or .B:159 or .B:161 or .B:162 or .B:163; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2CCH The crystal structure of CDK2 cyclin A in complex with a substrate peptide derived from CDC modified with a gamma-linked ATP analogue | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [10] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7QHL Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [11] |
| 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
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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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| PDB ID: 3DDQ Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [12] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7ACK CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [13] |
| 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 .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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| PDB ID: 4EOI Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKDFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPENL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYHEVV 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4EOO Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [4] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPEN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLR
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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:148 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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| PDB ID: 6GVA CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [14] |
| 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
|
|||||
|
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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1QMZ PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [15] |
| 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
|
|||||
|
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
|
||||||
| PDB ID: 6RIJ CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [16] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1P5E The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [17] |
| 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
|
|||||
|
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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||||||
| PDB ID: 1PKD THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [18] |
| 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
|
|||||
|
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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5LMK Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [19] |
| 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
|
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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 or .C:50 or .C:126 or .C:150 or .C:158 or .C:159 or .C:161 or .C:162 or .C:163 or .C:180; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG50[A]
2.948
ARG126[A]
2.818
ARG150[A]
3.015
THR158[A]
4.657
TYR159[A]
1.338
HIS161[A]
1.335
GLU162[A]
3.642
VAL163[A]
3.489
TYR180[A]
2.678
|
|||||
| PDB ID: 1E9H Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [20] |
| 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
|
|||||
|
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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2G9X Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [21] |
| 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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:50 or .A:126 or .A:148 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
|
||||||
| PDB ID: 7B7S CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 | ||||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [22] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1GY3 pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [23] |
| 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
|
|||||
|
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:148 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
|
||||||
| PDB ID: 2CCI Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [10] |
| 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
|
|||||
|
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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3DDP Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [12] |
| 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 .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
|
||||||
| PDB ID: 3DOG Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [24] |
| 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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:50 or .A:126 or .A:148 or .A:150 or .A:158 or .A:159 or .A:161 or .A:162 or .A:163 or .A:180; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5L2W The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [25] |
| 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 .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
|
||||||
| PDB ID: 4EOP Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [4] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3BHT Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [26] |
| 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 .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
|
||||||
| PDB ID: 3TNW Structure of CDK2/cyclin A in complex with CAN508 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [27] |
| 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
|
|||||
|
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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4BCK Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [28] |
| 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 .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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||||||
| PDB ID: 4BCO Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [28] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4I3Z Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [2] |
| 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 .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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||||||
| PDB ID: 3BHV Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [26] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3MY5 CDk2/cyclinA in complex with DRB | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [29] |
| 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
|
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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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||||||
| PDB ID: 4BCN Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [28] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4BCP Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [30] |
| 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 .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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||||||
| PDB ID: 3BHU Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [26] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOL Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [4] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLET41 EGVPSTAIRE51 ISLLKELNHP 61 NIVKLLDVIH71 TENKLYLVFE81 FLSMDLKDFM91 DASLTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLR
|
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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
|
||||||
| PDB ID: 4EON Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [4] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLD38 TETEGVPSTA48 IREISLLKEL 58 NHPNIVKLLD68 VIHTENKLYL78 VFEFLSMDLK88 KFMDASALTG98 IPLPLIKSYL 108 FQLLQGLAFC118 HSHRVLHRDL128 KPENLLINTE138 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOK Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 | ||||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | Yes | [4] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 SMDLKDFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLR
|
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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
|
||||||
| PDB ID: 4EOS Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 | ||||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [4] |
| PDB Sequence |
PGSMENFQKV
7 EKIGEGTYGV17 VYKARNKLTG27 EVVALKKIRL37 DEGVPSTAIR50 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOM Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [4] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLSMDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 ENLLINTEGA140 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 .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
|
||||||
| PDB ID: 4EOQ Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [4] |
| 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 VPHLR
|
|||||
|
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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4BCQ Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [28] |
| 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
|
|||||
|
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
|
||||||
| PDB ID: 4BCM Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [28] |
| 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
|
|||||
|
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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOJ Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [4] |
| 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
|
|||||
|
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
|
||||||
| PDB ID: 6GUE CDK2/CyclinA in complex with AZD5438 | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [31] |
| PDB Sequence |
> Chain A
SMENFQKVEK 9 IGEGTYGVVY19 KARNKLTGEV29 VALKKITEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTNN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 LRL> 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 TPDEVTSMPD235 YKPSFPRQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHL
|
|||||
|
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 or .C:50 or .C:126 or .C:150 or .C:158 or .C:159 or .C:161 or .C:162 or .C:163 or .C:180; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG50[A]
3.050
ARG126[A]
2.623
ARG150[A]
2.784
THR158[A]
4.682
TYR159[A]
1.329
HIS161[A]
1.329
GLU162[A]
4.360
VAL163[A]
3.474
TYR180[A]
2.479
|
|||||
| PDB ID: 1OIU Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [32] |
| 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 .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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| PDB ID: 2IW9 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [33] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLEG43 VPSTAIREIS53 LLKELNHPNI 63 VKLLDVIHTE73 NKLYLVFEFL83 HQDLKTFMDA93 SALTGIPLPL103 IKSYLFQLLQ 113 GLAFCHSHRV123 LHRDLKPQNL133 LINTEGAIKL143 ADFGLARAFG153 VPVRTYHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLR
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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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6GUC CDK2/CyclinA in complex with SU9516 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [31] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKITEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYHEVVT 165 LWYRAPEILL175 GCKYYSTAVD185 IWSLGCIFAE195 MVTRRALFPG205 DSEIDQLFRI 215 FRTLGTPDEV225 VWPGVTSMPD235 YKPSFPKWAR245 QDFSKVVPPL255 DEDGRSLLSQ 265 MLHYDPNKRI275 SAKAALAHPF285 FQDVTKPVPH295 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 .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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| PDB ID: 1OI9 Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [32] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CFN Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [34] |
| 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 .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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| PDB ID: 2IW6 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [33] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2IW8 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [33] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEHVDQDLKK89 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
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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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| PDB ID: 1OIY Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [32] |
| 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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:50 or .A:126 or .A:148 or .A:150 or .A:158 or .A:159 or .A:161 or .A:162 or .A:163 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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||||||
| PDB ID: 6GUB CDK2/CyclinA in complex with Flavopiridol | ||||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [31] |
| 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 .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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| PDB ID: 1OGU STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [35] |
| 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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:50 or .A:126 or .A:148 or .A:150 or .A:158 or .A:159 or .A:161 or .A:162 or .A:163 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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||||||
| PDB ID: 6GUF CDK2/CyclinA in complex with CGP74514A | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [31] |
| 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 .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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| PDB ID: 1H1R Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [36] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1H1S Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [36] |
| 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 .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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||||||
| PDB ID: 4CFV Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [34] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5CYI CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 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 .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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| PDB ID: 1H1P Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [36] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4CFU Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [34] |
| 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 .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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||||||
| PDB ID: 4CFW Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [34] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1H1Q Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [36] |
| 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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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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| PDB ID: 4CFM Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [34] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5NEV CDK2/Cyclin A in complex with compound 73 | ||||||
| Method | X-ray diffraction | Resolution | 2.97 Å | Mutation | No | [38] |
| 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 .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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| PDB ID: 7MKX Crystal Structure Analysis of human CDK2 and CCNA2 complex | ||||||
| Method | X-ray diffraction | Resolution | 3.08 Å | Mutation | No | [39] |
| 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 .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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CFX Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | ||||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [34] |
| 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 .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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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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 2 | Price to be paid for two-metal catalysis: magnesium ions that accelerate chemistry unavoidably limit product release from a protein kinase. J Am Chem Soc. 2012 Sep 19;134(37):15357-70. | ||||
| REF 3 | 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 4 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem Biol. 2012 Aug 24;19(8):1028-40. | ||||
| REF 5 | 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 6 | 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 7 | Structural basis of cyclin-dependent kinase activation by phosphorylation. Nat Struct Biol. 1996 Aug;3(8):696-700. | ||||
| REF 8 | 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 9 | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2. Mol Cell. 2001 Mar;7(3):615-26. | ||||
| REF 10 | The role of the phospho-CDK2/cyclin A recruitment site in substrate recognition. J Biol Chem. 2006 Aug 11;281(32):23167-79. | ||||
| REF 11 | 3,5,7-Substituted Pyrazolo[4,3-d]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders. J Med Chem. 2022 Jul 14;65(13):8881-8896. | ||||
| REF 12 | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene. 2008 Oct 2;27(44):5797-807. | ||||
| REF 13 | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure. Eur J Med Chem. 2021 Apr 15;216:113309. | ||||
| REF 14 | 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. J Med Chem. 2019 May 9;62(9):4606-4623. | ||||
| REF 15 | The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases. Nat Cell Biol. 1999 Nov;1(7):438-43. | ||||
| REF 16 | CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 | ||||
| REF 17 | Alternative binding modes of an inhibitor to two different kinases. Eur J Biochem. 2003 Aug;270(15):3174-81. | ||||
| REF 18 | The Crystal Structure of UCN-01 in Complex with Phospho-CDK2/Cyclin A | ||||
| REF 19 | Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. Eur J Med Chem. 2017 Jan 27;126:1118-1128. | ||||
| REF 20 | 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 21 | Searching for cyclin-dependent kinase inhibitors using a new variant of the cope elimination. J Am Chem Soc. 2006 May 10;128(18):6012-3. | ||||
| REF 22 | 3H-Pyrazolo[4,3-f]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells In Vivo. J Med Chem. 2021 Aug 12;64(15):10981-10996. | ||||
| REF 23 | Structural studies on phospho-CDK2/cyclin A bound to nitrate, a transition state analogue: implications for the protein kinase mechanism. Biochemistry. 2002 Jun 11;41(23):7301-11. | ||||
| REF 24 | N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine. Mol Cancer Ther. 2008 Sep;7(9):2713-24. | ||||
| REF 25 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol Cancer Ther. 2016 Oct;15(10):2273-2281. | ||||
| REF 26 | 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 27 | The CDK9 C-helix exhibits conformational plasticity that may explain the selectivity of CAN508. ACS Chem Biol. 2012 May 18;7(5):811-6. | ||||
| REF 28 | 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 29 | Halogen bonds form the basis for selective P-TEFb inhibition by DRB. Chem Biol. 2010 Sep 24;17(9):931-6. | ||||
| REF 30 | Substituted 4-(thiazol-5-yl)-2-(phenylamino)pyrimidines are highly active CDK9 inhibitors: synthesis, X-ray crystal structures, structure-activity relationship, and anticancer activities. J Med Chem. 2013 Feb 14;56(3):640-59. | ||||
| REF 31 | 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 32 | 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 33 | Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity. J Med Chem. 2006 Sep 7;49(18):5470-7. | ||||
| REF 34 | 8-Substituted O(6)-cyclohexylmethylguanine CDK2 inhibitors: using structure-based inhibitor design to optimize an alternative binding mode. J Med Chem. 2014 Jan 9;57(1):56-70. | ||||
| REF 35 | Structure-based design of 2-arylamino-4-cyclohexylmethyl-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinases 1 and 2. Bioorg Med Chem Lett. 2003 Sep 15;13(18):3079-82. | ||||
| REF 36 | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nat Struct Biol. 2002 Oct;9(10):745-9. | ||||
| REF 37 | Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem Biol. 2015 Sep 17;22(9):1159-64. | ||||
| REF 38 | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J Med Chem. 2017 Mar 9;60(5):1746-1767. | ||||
| REF 39 | Crystal Structure Analysis of human CDK2 and CCNA2 complex | ||||
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