Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T50594 | Target Info | |||
| Target Name | Serine/threonine-protein kinase pim-1 (PIM1) | ||||
| Synonyms | Pim-1 proto-oncogene, serine/threonine kinase; PIM | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PIM1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine monophosphate | Ligand Info | |||||
| Structure Description | Crystal Structure of Kinase Pim1 in Complex with AMP | PDB:1YXU | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [1] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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| Ligand Name: Quercetin | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 with Quercetin | PDB:2O3P | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [2] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Mitoxantrone | Ligand Info | |||||
| Structure Description | Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone | PDB:4I41 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [3] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MIX or .MIX2 or .MIX3 or :3MIX;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:126 or .A:127 or .A:128 or .A:130 or .A:131 or .A:133 or .A:134 or .A:167 or .A:169 or .A:170 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:204 or .A:206 or .A:207 or .A:234 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243 or .A:247 or .A:256; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.488
GLY45
4.071
PHE49
3.344
VAL52
3.880
ALA65
3.363
LYS67
4.055
ILE104
3.709
LEU120
3.223
GLU121
3.284
ARG122
4.131
VAL126
4.489
GLN127
3.373
ASP128
2.873
PHE130
3.555
ASP131
2.575
ILE133
3.410
THR134
2.893
ASP167
3.101
LYS169
3.026
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| Ligand Name: Adenosine | Ligand Info | |||||
| Structure Description | Structure of Pim-1 bound to adenosine | PDB:1YI4 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [4] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGETRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADN or .ADN2 or .ADN3 or :3ADN;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:174 or .A:185; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: LY333531 | Ligand Info | |||||
| Structure Description | Crystal Structure of the humab PIM1 in complex with LY333531 | PDB:2J2I | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [5] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LY4 or .LY42 or .LY43 or :3LY4;style chemicals stick;color identity;select .B:44 or .B:45 or .B:49 or .B:52 or .B:65 or .B:67 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:128 or .B:171 or .B:172 or .B:174 or .B:185 or .B:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PTC299 | Ligand Info | |||||
| Structure Description | Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | PDB:4LL5 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [6] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGETRVP87 MEVVLLKKVS 97 SGFSGVIRLL107 DWFERPDSFV117 LILERPEPVQ127 DLFDFITERG137 ALQEELARSF 147 FWQVLEAVRH157 CHNCGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SK8 or .SK82 or .SK83 or :3SK8;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CX-4945 | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | PDB:5O11 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGSVYSG55 IRVSDNLPVA65 IKHVEKDRIS75 DWGELPNGTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIRGQVFFR256 QRVSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3NG or .3NG2 or .3NG3 or :33NG;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:50 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PIM447 | Ligand Info | |||||
| Structure Description | Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | PDB:5DWR | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [8] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5H7 or .5H72 or .5H73 or :35H7;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
2.920
GLY45
2.984
SER46
4.366
PHE49
2.646
VAL52
3.221
ALA65
3.586
LYS67
2.842
GLU89
4.525
ILE104
2.983
LEU120
3.143
GLU121
2.150
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| Ligand Name: LY294002 | Ligand Info | |||||
| Structure Description | Crystal Structure of Pim-1 bound to LY294002 | PDB:1YI3 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [4] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGETRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LY2 or .LY22 or .LY23 or :3LY2;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:126 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Bisindolylmaleimide-I | Ligand Info | |||||
| Structure Description | Crystal Structure of the human PIM1 kinase domain | PDB:1XWS | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [9] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BI1 or .BI12 or .BI13 or :3BI1;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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: AS-601245 | Ligand Info | |||||
| Structure Description | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V | PDB:3CY3 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [10] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIGGQVF254 FRQRVSECQH265 LIRWCLALRP275 SDRPTFEEIQ285 NHPWMQDVLL 295 PQETAEIHLH305
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JN5 or .JN52 or .JN53 or :3JN5;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Structure of PIM-1 kinase crystallized in the presence of P27KIP1 Carboxy-terminal peptide | PDB:3A99 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [11] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.611
GLY45
3.770
GLY47
4.227
GLY48
4.034
PHE49
4.480
GLY50
3.536
SER51
4.783
VAL52
3.487
ALA65
3.475
LYS67
2.786
GLU89
4.989
ILE104
3.568
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: SMI-4a | Ligand Info | |||||
| Structure Description | Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design | PDB:3VC4 | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [12] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0FS or .0FS2 or .0FS3 or :30FS;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: A-443654 | Ligand Info | |||||
| Structure Description | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors | PDB:5DGZ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [13] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L20 or .L202 or .L203 or :3L20;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:169 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | Pim1 Kinase in complex with a benzofuranone inhibitor | PDB:5VUB | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [14] |
| PDB Sequence |
SQYQVGPLLG
45 SGGFGSVYSG55 IRVSDNLPVA65 IKHVEKDRIS75 DWGELPNGTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIRGQVFFR256 QRVSSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .B:95 or .B:96 or .B:98 or .B:156 or .B:157 or .B:158 or .B:159 or .B:160 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Pim1 Complexed with a pyridylcarboxamide | PDB:4N70 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HX or .2HX2 or .2HX3 or :32HX;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | PDB:5O13 | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [7] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSECQH265 LIRWCLALRP275 SDRPTFEEIQ285 NHPWMQDVLL 295 PQETAEIHLH305
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSX or .CSX2 or .CSX3 or :3CSX;style chemicals stick;color identity;select .A:95 or .A:96 or .A:157 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Myricetin | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 with Myricetin | PDB:2O63 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYC or .MYC2 or .MYC3 or :3MYC;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:124 or .A:126 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L17 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:258 or .A:259 or .A:260 or .A:262 or .A:263 or .A:264 or .A:265; 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: NCGC00167772-01 | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | PDB:6KZI | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RTX or .RTX2 or .RTX3 or :3RTX;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.880
GLY45
4.766
PHE49
3.226
VAL52
3.740
ALA65
3.369
LYS67
3.691
GLU89
4.535
ILE104
4.182
LEU120
3.438
GLU121
3.387
ARG122
4.004
|
|||||
| Ligand Name: S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||||
| Structure Description | Crystal structure of Pim-1 bound to staurosporine | PDB:1YHS | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [4] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGETRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:95 or .A:96 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163; 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: Staurosporine | Ligand Info | |||||
| Structure Description | Crystal structure of Pim-1 bound to staurosporine | PDB:1YHS | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [4] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGETRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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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:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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-Cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 2-cyclopropyl-4,5-dimethylthieno[5,4-d]pyrimidine-6-carboxylic acid | PDB:5N4V | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [17] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8MW or .8MW2 or .8MW3 or :38MW;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:122 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; 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-[(3-Aminophenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide | Ligand Info | |||||
| Structure Description | Human PIM1 bound to benzothiophene inhibitor 224 | PDB:6PDI | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [18] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIGG251 QVFFRQRVSS261 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ 291 DVLLPQETAE301 IHLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OCJ or .OCJ2 or .OCJ3 or :3OCJ;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Imidazopyridazin 1 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I | PDB:2C3I | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [19] |
| PDB Sequence |
QYQVGPLLGS
46 GGFGSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGEGTRVPME89 VVLLKKVSSG 99 FSGVIRLLDW109 FERPDSFVLI119 LERPEPVQDL129 FDFITERGAL139 QEELARSFFW 149 QVLEAVRHCH159 NCGVLHRDIK169 DENILIDLNR179 GELKLIDFGS189 GALLKDTVYT 199 DFDGTRVYSP209 PEWIRYHRYH219 GRSAAVWSLG229 ILLYDMVCGD239 IPFEHDEEII 249 GGQVFFRQRV259 SSECQHLIRW269 CLALRPSDRP279 TFEEIQNHPW289 MQDVLLPQET 299 AEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYZ or .IYZ2 or .IYZ3 or :3IYZ;style chemicals stick;color identity;select .B:44 or .B:45 or .B:46 or .B:49 or .B:52 or .B:65 or .B:67 or .B:89 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:171 or .B:172 or .B:174 or .B:185 or .B:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ruthenium Pyridocarbazole | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU2 | PDB:2BZI | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [20] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DW2 or .DW22 or .DW23 or :3DW2;style chemicals stick;color identity;select .B:44 or .B:45 or .B:46 or .B:49 or .B:52 or .B:65 or .B:67 or .B:89 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:128 or .B:171 or .B:172 or .B:174 or .B:185 or .B:186 or .B:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.415
GLY45
2.987
SER46
3.967
PHE49
3.551
VAL52
3.390
ALA65
3.324
LYS67
3.271
GLU89
3.531
ILE104
3.557
LEU120
3.391
GLU121
2.781
|
|||||
| Ligand Name: Ruthenium-pyridocarbazole-1 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1 | PDB:2BZH | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [21] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIGG251 QVFFRQRVSS261 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ 291 DVLLPQETAE301 IHLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HB1 or .HB12 or .HB13 or :3HB1;style chemicals stick;color identity;select .B:44 or .B:45 or .B:46 or .B:49 or .B:52 or .B:65 or .B:67 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:128 or .B:171 or .B:172 or .B:174 or .B:185 or .B:186; 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-Chlorophenyl)sulfanyl]acetohydrazide | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(4-chlorophenyl)sulfanylacetohydrazide | PDB:5N50 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | Yes | [22] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8MN or .8MN2 or .8MN3 or :38MN;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:172 or .A:174 or .A:185 or .A:186; 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-quinolinylnicotinamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule N-quinolin-5-ylpyridine-3-carboxamide | PDB:5MZL | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [23] |
| PDB Sequence |
PLESQYQVGP
42 LLGSSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGELPNGTRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNCGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIGGQVFFR256 QRVSSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ET or .8ET2 or .8ET3 or :38ET;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-9-oxo-9-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 in complex with ARC-1411 | PDB:7OOV | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [24] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6ID or .6ID2 or .6ID3 or :36ID;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:129 or .A:130 or .A:131 or .A:133 or .A:134 or .A:170 or .A:171 or .A:174 or .A:185 or .A:234 or .A:238 or .A:239 or .A:240 or .A:243 or .A:256; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.502
GLY45
3.609
SER46
2.699
GLY47
4.179
PHE49
2.985
VAL52
3.998
ALA65
3.309
ILE104
3.801
LEU120
4.129
GLU121
2.799
ARG122
3.577
PRO123
3.770
VAL126
4.223
ASP128
2.767
LEU129
4.503
|
|||||
| Ligand Name: 5-bromo-1H-indole-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-bromo-1H-indole-3-carboxylate | PDB:5N5L | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | Yes | [25] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIGGQV253 FFRQRVSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8NZ or .8NZ2 or .8NZ3 or :38NZ;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(2-thiophen-2-ylethenyl)-1H-quinoxalin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-3-(2-(thiophen-2-yl)vinyl)-3,4-dihydroquinoxalin-2(1H)-one | PDB:5NDT | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [26] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8UB or .8UB2 or .8UB3 or :38UB;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(1,3-Benzodioxol-5-Ylmethyl)-2-(Phenylamino)-4h-Imidazol-4-One | Ligand Info | |||||
| Structure Description | Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | PDB:4GW8 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [27] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3RA or .3RA2 or .3RA3 or :33RA;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Ruthenium-pyridocarbazole-3 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU3 | PDB:2BZJ | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [28] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ME3 or .ME32 or .ME33 or :3ME3;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-dimethyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile | PDB:5N4N | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | Yes | [29] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8M8 or .8M82 or .8M83 or :38M8;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:124 or .A:126 or .A:174 or .A:185 or .A:186; 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-[(1-Methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one | Ligand Info | |||||
| Structure Description | Human PIM1 bound to OX0999 | PDB:6QXK | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [30] |
| PDB Sequence |
ESQYQVGPLL
44 GGFGSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGELPNGTRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNCGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIGGQVFFR256 QRVSSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JKW or .JKW2 or .JKW3 or :3JKW;style chemicals stick;color identity;select .B:44 or .B:45 or .B:48 or .B:49 or .B:50 or .B:52 or .B:65 or .B:67 or .B:89 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:127 or .B:128 or .B:169 or .B:171 or .B:172 or .B:174 or .B:185 or .B:186 or .B:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.804
GLY45
4.543
GLY48
4.390
PHE49
3.284
GLY50
4.553
VAL52
3.685
ALA65
3.566
LYS67
2.900
GLU89
4.535
ILE104
3.958
LEU120
3.835
GLU121
3.064
|
|||||
| Ligand Name: 3,4-Dibromothiophene-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-Dibromothiophene-2-carboxylic acid | PDB:5N51 | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | Yes | [31] |
| PDB Sequence |
PLESQYQVGP
42 LLGSSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGELPNGTRV86 PMEVVLLKKV 96 SSGFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNCGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIGGQVFFR256 QRVSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8N8 or .8N82 or .8N83 or :38N8;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-(azepan-1-yl)-1-(1H-indol-3-yl)propan-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(azepan-1-yl)-1-(1H-indol-3-yl)propan-1-one | PDB:5N4R | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | Yes | [32] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8MQ or .8MQ2 or .8MQ3 or :38MQ;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:104 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (Z)-6-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-1-naphthamide | Ligand Info | |||||
| Structure Description | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a furan-thiazolidinedione ligand | PDB:3QF9 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [33] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIGG251 QVFFRQRVSS261 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ 291 DVLLPQETAE301 IHLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NM8 or .NM82 or .NM83 or :3NM8;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4,5-Dibromothiophene-2-carbohydrazide | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 4,5-dibromothiophene-2-carbohydrazide | PDB:5N4X | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [34] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIGGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8MT or .8MT2 or .8MT3 or :38MT;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[5-(Cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide | Ligand Info | |||||
| Structure Description | Human PIM1 bound to benzothiophene inhibitor 213 | PDB:6PCW | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [35] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O97 or .O972 or .O973 or :3O97;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(2-Aminothiazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one | PDB:5N4U | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [36] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIGGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8MZ or .8MZ2 or .8MZ3 or :38MZ;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and (R)-3-(2-((isoquinolin-5-ylmethyl)(methyl)carbamoyl)phenyl)pyrrolidin-1-ium | PDB:5N5M | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | Yes | [37] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8O8 or .8O82 or .8O83 or :38O8;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:169 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Methylcinnamic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule (E)-3-(p-tolyl)acrylic acid | PDB:5N4O | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [38] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGELPNGT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIGGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8MB or .8MB2 or .8MB3 or :38MB;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-Dimethoxycinnamic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-3-(2,3-dimethoxyphenyl)acrylic acid | PDB:5N52 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [39] |
| PDB Sequence |
PLESQYQVGP
42 LLGSVYSGIR57 VSDNLPVAIK67 HVEKDRISDW77 GELPNGTRVP87 MEVVLLKKVS 97 SGFSGVIRLL107 DWFERPDSFV117 LILERPEPVQ127 DLFDFITERG137 ALQEELARSF 147 FWQVLEAVRH157 CHNCGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIGGQVFFRQ257 RVSSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8N2 or .8N22 or .8N23 or :38N2;style chemicals stick;color identity;select .A:44 or .A:45 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: p-Hydroxybenzalacetone | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-4-(4-hydroxyphenyl)but-3-en-2-one | PDB:5N4Z | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | Yes | [40] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIGGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8MK or .8MK2 or .8MK3 or :38MK;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand | PDB:3MA3 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [41] |
| PDB Sequence |
QYQVGPLLGG
48 FGSVYSGIRV58 SDNLPVAIKH68 VEKDRISDWG78 ELPNGTRVPM88 EVVLLKKVSS 98 GFSGVIRLLD108 WFERPDSFVL118 ILERPEPVQD128 LFDFITERGA138 LQEELARSFF 148 WQVLEAVRHC158 HNCGVLHRDI168 KDENILIDLN178 RGELKLIDFG188 SGALLKDTVY 198 TDFDGTRVYS208 PPEWIRYHRY218 HGRSAAVWSL228 GILLYDMVCG238 DIPFEHDEEI 248 IGGQVFFRQR258 VSECQHLIRW269 CLALRPSDRP279 TFEEIQNHPW289 MQDVLLPQET 299 AEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .01I or .01I2 or .01I3 or :301I;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde | Ligand Info | |||||
| Structure Description | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand | PDB:3JPV | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [42] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1DR or .1DR2 or .1DR3 or :31DR;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; 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-(3-Aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide | Ligand Info | |||||
| Structure Description | Human PIM1 bound to benzothiophene inhibitor 354 | PDB:6PDO | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [43] |
| PDB Sequence |
ESQYQVGPLL
44 GSSVYSGIRV58 SDNLPVAIKH68 VEKDRISDWG78 ELPNGTRVPM88 EVVLLKKVSS 98 GFSGVIRLLD108 WFERPDSFVL118 ILERPEPVQD128 LFDFITERGA138 LQEELARSFF 148 WQVLEAVRHC158 HNCGVLHRDI168 KDENILIDLN178 RGELKLIDFG188 SGALLKDTVY 198 TDFDGTRVYS208 PPEWIRYHRY218 HGRSAAVWSL228 GILLYDMVCG238 DIPFEHDEEI 248 IGGQVFFRQR258 VSSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OD1 or .OD12 or .OD13 or :3OD1;style chemicals stick;color identity;select .A:44 or .A:45 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; 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-(3-Aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Human PIM1 bound to benzothiophene inhibitor 292 | PDB:6PDN | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [44] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSSVYSG55 IRVSDNLPVA65 IKHVEKDRIS75 DWGELPNGTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNCGVLH165 RDIKDENILI175 DLNRGELKLI185 DFGSGALLKD 195 TVYTDFDGTR205 VYSPPEWIRY215 HRYHGRSAAV225 WSLGILLYDM235 VCGDIPFEHD 245 EEIIGGQVFF255 RQRVSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OD4 or .OD42 or .OD43 or :3OD4;style chemicals stick;color identity;select .A:44 or .A:46 or .A:51 or .A:52 or .A:65 or .A:67 or .A:68 or .A:69 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:174 or .A:185 or .A:186; 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-acetamido-1-benzothiophen-4-yl)-N-cyclopropylthiophene-2-carboxamide | Ligand Info | |||||
| Structure Description | Human PIM1 bound to benzothiophene inhibitor 379 | PDB:6PDP | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [45] |
| PDB Sequence |
SQYQVGPLLG
47 GFGSVYSGIR57 VSDNLPVAIK67 HVEKDRISDW77 GELPNGTRVP87 MEVVLLKKVS 97 SGFSGVIRLL107 DWFERPDSFV117 LILERPEPVQ127 DLFDFITERG137 ALQEELARSF 147 FWQVLEAVRH157 CHNCGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIGGQVFFRQ257 RVSSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OBY or .OBY2 or .OBY3 or :3OBY;style chemicals stick;color identity;select .A:44 or .A:50 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:126 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,2-Dihydroisothiochromeno(4,3-c)pyrazol-3(5H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2,5-dihydro-1H-isothiochromeno[3,4-d]pyrazol-3-one | PDB:5N4Y | ||||
| Method | X-ray diffraction | Resolution | 2.56 Å | Mutation | Yes | [46] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8N5 or .8N52 or .8N53 or :38N5;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2,2-Dimethylpropyl)-2-[1-Oxo-7-(Thiophen-3-Yl)-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor | PDB:4BZN | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [47] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UGX or .UGX2 or .UGX3 or :3UGX;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4r)-7-Chloro-9-Methyl-1-Oxo-1,2,4,9-Tetrahydrospiro[beta-Carboline-3,4'-Piperidine]-4-Carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II | PDB:3CY2 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [48] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIGGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB9 or .MB92 or .MB93 or :3MB9;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4r)-7,8-Dichloro-1',9-Dimethyl-1-Oxo-1,2,4,9-Tetrahydrospiro[beta-Carboline-3,4'-Piperidine]-4-Carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I | PDB:3CXW | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [48] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIGGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 HS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7CP or .7CP2 or .7CP3 or :37CP;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:169 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor | PDB:4BZO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [47] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .676 or .6762 or .6763 or :3676;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.600
GLY45
3.503
SER46
4.900
PHE49
3.516
VAL52
3.864
ALA65
3.657
LYS67
2.768
GLU89
4.195
ILE104
3.684
LEU120
3.803
GLU121
3.280
|
|||||
| Ligand Name: 2-(2,6-Difluorophenyl)-N-{4-[(3s)-Pyrrolidin-3-Yloxy]pyridin-3-Yl}-1,3-Thiazole-4-Carboxamide | Ligand Info | |||||
| Structure Description | PIM1 kinase in complex with Compound 1s | PDB:4XHK | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [49] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNCGVLH165 RDIKDENILI175 DLNRGELKLI185 DFGSGALLKD 195 TVYTDFDGTR205 VYSPPEWIRY215 HRYHGRSAAV225 WSLGILLYDM235 VCGDIPFEHD 245 EEIIRGQVFF255 RQRVSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YR or .3YR2 or .3YR3 or :33YR;style chemicals stick;color identity;select .B:44 or .B:45 or .B:49 or .B:52 or .B:65 or .B:67 or .B:89 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:128 or .B:171 or .B:174 or .B:185 or .B:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(Piperidin-4-Ylmethyl)-3-[3-(Trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-B]pyridin-5-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 kinase with ETP46546 | PDB:4A7C | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [50] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E46 or .E462 or .E463 or :3E46;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2E)-3-(3-{6-[(4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid | Ligand Info | |||||
| Structure Description | Protein kinase Pim-1 in complex with small molecule inibitor | PDB:2XJ1 | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [51] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XJ1 or .XJ12 or .XJ13 or :3XJ1;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.635
GLY45
3.779
SER46
4.293
PHE49
3.047
VAL52
4.166
ALA65
3.386
LYS67
2.769
GLU89
4.447
ILE104
3.939
LEU120
3.577
GLU121
3.388
|
|||||
| Ligand Name: 1H-Benzimidazole-2-methanol | Ligand Info | |||||
| Structure Description | Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen | PDB:2XIY | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [51] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XIY or .XIY2 or .XIY3 or :3XIY;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(4-Pyridyl)acrylic acid | Ligand Info | |||||
| Structure Description | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | PDB:2XIZ | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [51] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XIZ or .XIZ2 or .XIZ3 or :3XIZ;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Guanazole | Ligand Info | |||||
| Structure Description | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | PDB:2XIX | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [51] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 HS
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XIX or .XIX2 or .XIX3 or :3XIX;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:174 or .A:185; 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)-3-(2-Aminopyrimidin-5-YL)acrylic acid | Ligand Info | |||||
| Structure Description | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | PDB:2XJ0 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [51] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XJ0 or .XJ02 or .XJ03 or :3XJ0;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2e)-3-{3-[6-(4-Methyl-1,4-Diazepan-1-Yl)pyrazin-2-Yl]phenyl}prop-2-Enoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 in complex with DAPPA | PDB:3F2A | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [52] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHSLS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .985 or .9852 or .9853 or :3985;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; 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-[(Trans-4-Aminocyclohexyl)amino]-4-{[3-(Trifluoromethyl)phenyl]amino}pyrido[4,3-D]pyrimidin-5(6h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one | PDB:4JX7 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [53] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1N6 or .1N62 or .1N63 or :31N6;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:174 or .A:185; 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-{6-[(Trans-4-Aminocyclohexyl)amino]pyrazin-2-Yl}-1-Benzofuran-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | PDB:3R04 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [54] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGELPNGT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UNQ or .UNQ2 or .UNQ3 or :3UNQ;style chemicals stick;color identity;select .A:44 or .A:45 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:174 or .A:185 or .A:186 or .A:187; 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-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine | Ligand Info | |||||
| Structure Description | PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine) | PDB:5V82 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [55] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIRGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .96Y or .96Y2 or .96Y3 or :396Y;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-[(Cis-4-Aminocyclohexyl)amino]-5-Bromo-1-Benzofuran-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | PDB:3R02 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [54] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGELPNGT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UNM or .UNM2 or .UNM3 or :3UNM;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1s,3s)-N-{6-[5-(Pyridin-3-Yl)-1h-Pyrazolo[3,4-C]pyridin-3-Yl]pyridin-2-Yl}cyclohexane-1,3-Diamine | Ligand Info | |||||
| Structure Description | PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine) | PDB:5DIA | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [13] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5E6 or .5E62 or .5E63 or :35E6;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Bromo-4-Hydroxycoumarin | Ligand Info | |||||
| Structure Description | Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design | PDB:3VBX | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [12] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGELTRVP87 MEVVLLKKVS 97 SGFSGVIRLL107 DWFERPDSFV117 LILERPEPVQ127 DLFDFITERG137 ALQEELARSF 147 FWQVLEAVRH157 CHNCGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0FO or .0FO2 or .0FO3 or :30FO;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; 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-Hydroxyquinoline-2-carboxamide | Ligand Info | |||||
| Structure Description | Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design | PDB:3VBV | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [12] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGELTRVP87 MEVVLLKKVS 97 SGFSGVIRLL107 DWFERPDSFV117 LILERPEPVQ127 DLFDFITERG137 ALQEELARSF 147 FWQVLEAVRH157 CHNCGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSSECQHLI267 RWCLALRPSD277 RPTFEEIQNH287 PWMQDVLLPQ 297 ETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0FK or .0FK2 or .0FK3 or :30FK;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:174 or .A:185 or .A:186 or .A:187; 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-Bromo-1-benzofuran-2-carboxylic acid | Ligand Info | |||||
| Structure Description | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | PDB:3R00 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [54] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UNJ or .UNJ2 or .UNJ3 or :3UNJ;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; 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-Chloro-2-(1H-pyrazol-3-yl)phenol | Ligand Info | |||||
| Structure Description | Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design | PDB:3VBT | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [12] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGETRVPM88 EVVLLKKVSS 98 GFSGVIRLLD108 WFERPDSFVL118 ILERPEPVQD128 LFDFITERGA138 LQEELARSFF 148 WQVLEAVRHC158 HNCGVLHRDI168 KDENILIDLN178 RGELKLIDFG188 SGALLKDTVY 198 TDFDGTRVYS208 PPEWIRYHRY218 HGRSAAVWSL228 GILLYDMVCG238 DIPFEHDEEI 248 IRGQVFFRQR258 VSSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0F9 or .0F92 or .0F93 or :30F9;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; 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-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one | Ligand Info | |||||
| Structure Description | PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one) | PDB:5V80 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [55] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .971 or .9712 or .9713 or :3971;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: furan-2-yl(1H-indol-3-yl)methanone | Ligand Info | |||||
| Structure Description | Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design | PDB:3VBY | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [12] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGETRVPM88 EVVLLKKVSS 98 GFSGVIRLLD108 WFERPDSFVL118 ILERPEPVQD128 LFDFITERGA138 LQEELARSFF 148 WQVLEAVRHC158 HNCGVLHRDI168 KDENILIDLN178 RGELKLIDFG188 SGALLKDTVY 198 TDFDGTRVYS208 PPEWIRYHRY218 HGRSAAVWSL228 GILLYDMVCG238 DIPFEHDEEI 248 IRGQVFFRQR258 VSSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0FR or .0FR2 or .0FR3 or :30FR;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; 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-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine | Ligand Info | |||||
| Structure Description | PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine) | PDB:5DHJ | ||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | No | [13] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5E5 or .5E52 or .5E53 or :35E5;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile | Ligand Info | |||||
| Structure Description | Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design | PDB:3VBW | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [12] |
| PDB Sequence |
ESQYQVGPLL
44 GGSVYSGIRV58 SDNLPVAIKH68 VEKDRISDWG78 ELTRVPMEVV91 LLKKVSSGFS 101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE141 ELARSFFWQV 151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA191 LLKDTVYTDF 201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP241 FEHDEEIIRG 251 QVFFRQRVSS261 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ291 DVLLPQETAE 301 IHLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0FN or .0FN2 or .0FN3 or :30FN;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Bromo-7-methoxy-1-benzofuran-2-carboxylic acid | Ligand Info | |||||
| Structure Description | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | PDB:3R01 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [54] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UNE or .UNE2 or .UNE3 or :3UNE;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; 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-Bromanyl-2-[(4-Methylpiperazin-1-Yl)methyl]-3h-[1]benzofuro[3,2-D]pyrimidin-4-One | Ligand Info | |||||
| Structure Description | Benzofuropyrimidinone Inhibitors of Pim-1 | PDB:4ALW | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [56] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIRGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HY7 or .HY72 or .HY73 or :3HY7;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:167 or .A:169 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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)-2-(1H-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one | Ligand Info | |||||
| Structure Description | Pim1 Kinase in complex with a benzofuranone inhibitor | PDB:5VUC | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [14] |
| PDB Sequence |
SQYQVGPLLG
45 SGGFGSVYSG55 IRVSDNLPVA65 IKHVEKDRIS75 DWGELPNGTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIRGQVFFR256 QRVSSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GR or .8GR2 or .8GR3 or :38GR;style chemicals stick;color identity;select .B:44 or .B:45 or .B:46 or .B:47 or .B:49 or .B:52 or .B:65 or .B:67 or .B:89 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:128 or .B:171 or .B:174 or .B:185 or .B:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one | Ligand Info | |||||
| Structure Description | Pim1 Kinase in complex with a benzofuranone inhibitor | PDB:5VUB | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [14] |
| PDB Sequence |
SQYQVGPLLG
45 SGGFGSVYSG55 IRVSDNLPVA65 IKHVEKDRIS75 DWGELPNGTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIRGQVFFR256 QRVSSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GU or .8GU2 or .8GU3 or :38GU;style chemicals stick;color identity;select .B:44 or .B:45 or .B:46 or .B:47 or .B:49 or .B:52 or .B:65 or .B:67 or .B:89 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:128 or .B:171 or .B:174 or .B:185 or .B:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | PDB:3UMW | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [57] |
| PDB Sequence |
QYQVGPLLGS
46 GGFGSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGELRVPMEV90 VLLKKVSSGF 100 SGVIRLLDWF110 ERPDSFVLIL120 ERPEPVQDLF130 DFITERGALQ140 EELARSFFWQ 150 VLEAVRHCHN160 CGVLHRDIKD170 ENILIDLNRG180 ELKLIDFGSG190 ALLKDTVYTD 200 FDGTRVYSPP210 EWIRYHRYHG220 RSAAVWSLGI230 LLYDMVCGDI240 PFEHDEEIIR 250 GQVFFRQRVS260 SECQHLIRWC270 LALRPSDRPT280 FEEIQNHPWM290 QDVLLPQETA 300 EIHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .596 or .5962 or .5963 or :3596;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one | Ligand Info | |||||
| Structure Description | Pim1 Kinase in complex with a benzofuranone inhibitor | PDB:5VUA | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [14] |
| PDB Sequence |
SQYQVGPLLG
45 SGGFGSVYSG55 IRVSDNLPVA65 IKHVEKDRIS75 DWGELPNGTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNCGVLH165 RDIKDENILI175 DLNRGELKLI185 DFGSGALLKD 195 TVYTDFDGTR205 VYSPPEWIRY215 HRYHGRSAAV225 WSLGILLYDM235 VCGDIPFEHD 245 EEIIRGQVFF255 RQRVSSECQH265 LIRWCLALRP275 SDRPTFEEIQ285 NHPWMQDVLL 295 PQETAEIHLH305
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GX or .8GX2 or .8GX3 or :38GX;style chemicals stick;color identity;select .B:44 or .B:45 or .B:46 or .B:47 or .B:49 or .B:52 or .B:65 or .B:67 or .B:89 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:128 or .B:171 or .B:174 or .B:185 or .B:186; 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-[(3-Aminopropyl)amino]quinazolin-2-Yl}phenol | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 kinase in complex with small molecule inhibitor | PDB:3UIX | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [58] |
| PDB Sequence |
QYQVGPLLGS
46 GGFGSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGELTRVPME89 VVLLKKVSSG 99 FSGVIRLLDW109 FERPDSFVLI119 LERPEPVQDL129 FDFITERGAL139 QEELARSFFW 149 QVLEAVRHCH159 NCGVLHRDIK169 DENILIDLNR179 GELKLIDFGS189 GALLKDTVYT 199 DFDGTRVYSP209 PEWIRYHRYH219 GRSAAVWSLG229 ILLYDMVCGD239 IPFEHDEEII 249 RGQVFFRQRV259 SSECQHLIRW269 CLALRPSDRP279 TFEEIQNHPW289 MQDVLLPQET 299 AEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q17 or .Q172 or .Q173 or :3Q17;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; 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-Amino-N-{4-[(3s)-3-Aminopiperidin-1-Yl]pyridin-3-Yl}pyrazine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Pim1 Complexed with a pyridylcarboxamide | PDB:4N6Z | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [15] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HW or .2HW2 or .2HW3 or :32HW;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:170 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
2.732
GLY45
3.394
SER46
4.659
PHE49
2.725
VAL52
3.113
ALA65
3.403
LYS67
2.829
GLU89
4.780
ILE104
3.283
LEU120
3.353
GLU121
1.774
|
|||||
| Ligand Name: (5e)-5-(Quinolin-6-Ylmethylidene)-2-[(Thiophen-2-Ylmethyl)amino]-1,3-Thiazol-4(5h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | PDB:5O12 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
LESQYQVGPL
43 LGSSVYSGIR57 VSDNLPVAIK67 HVEKDRISDW77 GELPTRVPME89 VVLLKKVSSG 99 FSGVIRLLDW109 FERPDSFVLI119 LERPEPVQDL129 FDFITERGAL139 QEELARSFFW 149 QVLEAVRHCH159 NGVLHRDIKD170 ENILIDLNRG180 ELKLIDFGSG190 ALLKDTVYTD 200 FDGTRVYSPP210 EWIRYHRYHG220 RSAAVWSLGI230 LLYDMVCGDI240 PFEHDEEIIR 250 GQVFFRQRVS260 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ291 DVLLPQETAE 301 IHLH
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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:44 or .A:46 or .A:51 or .A:52 or .A:65 or .A:67 or .A:68 or .A:69 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; 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)-5-chloro-3-((5-(3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl)furan-2-yl)methylene)indolin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | PDB:5O13 | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [7] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSECQH265 LIRWCLALRP275 SDRPTFEEIQ285 NHPWMQDVLL 295 PQETAEIHLH305
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9G5 or .9G52 or .9G53 or :39G5;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one | PDB:3UMX | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [59] |
| PDB Sequence |
QYQVGPLLGS
46 GGFGSVYSGI56 RVNLPVAIKH68 VEKDRISDWG78 ERVPMEVVLL93 KKVSSGFSGV 103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL143 ARSFFWQVLE 153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL193 KDTVYTDFDG 203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE243 HDEEIIRGQV 253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV293 LLPQETAEIH 303 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 .Q18 or .Q182 or .Q183 or :3Q18;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Bromo-2-{2-Chloro-4-[(Piperidin-4-Ylmethyl)amino]phenyl}[1]benzofuro[3,2-D]pyrimidin-4(3h)-One | Ligand Info | |||||
| Structure Description | Benzofuropyrimidinone Inhibitors of Pim-1 | PDB:4ALV | ||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | No | [56] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R9P or .R9P2 or .R9P3 or :3R9P;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:130 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
4.049
GLY45
3.586
SER46
4.421
PHE49
3.194
VAL52
3.989
ALA65
3.387
LYS67
2.692
GLU89
4.330
ILE104
4.062
LEU120
3.580
GLU121
3.475
|
|||||
| Ligand Name: 2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide | Ligand Info | |||||
| Structure Description | Pim1 Complexed with a phenylcarboxamide | PDB:4N6Y | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [15] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HV or .2HV2 or .2HV3 or :32HV;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.342
GLY45
3.195
SER46
4.069
PHE49
2.754
VAL52
2.751
ALA65
3.325
LYS67
2.973
GLU89
2.620
ILE104
3.328
LEU120
3.036
GLU121
2.482
|
|||||
| Ligand Name: 2-Methoxy-4-(3-Phenyl-2h-Pyrazolo[3,4-B]pyridin-6-Yl)phenol | Ligand Info | |||||
| Structure Description | Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution | PDB:3T9I | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [60] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3T9 or .3T92 or .3T93 or :33T9;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:103 or .A:104 or .A:105 or .A:118 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:184 or .A:185 or .A:186 or .A:187 or .A:188; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.848
PHE49
3.655
VAL52
4.301
ALA65
3.570
LYS67
3.590
GLU89
2.391
LEU93
3.294
VAL103
4.388
ILE104
2.977
ARG105
4.910
LEU118
4.827
|
|||||
| Ligand Name: 8-Bromo-2-(2-Chlorophenyl)[1]benzofuro[3,2-D]pyrimidin-4(3h)-One | Ligand Info | |||||
| Structure Description | Benzofuropyrimidinone Inhibitors of Pim-1 | PDB:4ALU | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [56] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGSGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .79O or .79O2 or .79O3 or :379O;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:49 or .A:50 or .A:51 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.863
GLY45
3.489
SER46
3.357
GLY47
4.234
SER49
2.821
GLY50
4.488
SER51
4.319
VAL52
2.706
ALA65
3.470
LYS67
2.646
GLU89
4.331
|
|||||
| Ligand Name: 4-(4-Hydroxy-3-Methylphenyl)-6-Phenylpyrimidin-2(5h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | PDB:3DCV | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [61] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .55E or .55E2 or .55E3 or :355E;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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,5z)-2-[(2-Chlorophenyl)imino]-5-(4-Hydroxy-3-Methoxybenzylidene)-1,3-Thiazolidin-4-One | Ligand Info | |||||
| Structure Description | Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one | PDB:4ENY | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [59] |
| PDB Sequence |
QYQVGPLLGS
46 GFGSVYSGIR57 VSDNLPVAIK67 HVEKDRISDW77 GRVPMEVVLL93 KKVSSFSGVI 104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA144 RSFFWQVLEA 154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK194 DTVYTDFDGT 204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH244 DEEIIRGQVF 254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL294 LPQETAEIHL 304 H
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J19 or .J192 or .J193 or :3J19;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:49 or .A:50 or .A:51 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.751
GLY45
3.451
SER46
3.419
GLY47
4.138
PHE49
3.691
GLY50
3.609
SER51
3.771
VAL52
3.643
ALA65
3.514
LYS67
2.924
GLU89
4.697
|
|||||
| Ligand Name: (2z,5z)-2-[(2-Chlorophenyl)imino]-5-(4-Hydroxy-3-Nitrobenzylidene)-1,3-Thiazolidin-4-One | Ligand Info | |||||
| Structure Description | Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one | PDB:4ENX | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [59] |
| PDB Sequence |
QYQVGPLLGS
46 GGFGSVYSGI56 RVSDNLPVAI66 KHVEKDRISD76 WGELTRVPME89 VVLLKKVSSG 99 FSGVIRLLDW109 FERPDSFVLI119 LERPEPVQDL129 FDFITERGAL139 QEELARSFFW 149 QVLEAVRHCH159 NCGVLHRDIK169 DENILIDLNR179 GELKLIDFGS189 GALLKDTVYT 199 DFDGTRVYSP209 PEWIRYHRYH219 GRSAAVWSLG229 ILLYDMVCGD239 IPFEHDEEII 249 RGQVFFRQRV259 SSECQHLIRW269 CLALRPSDRP279 TFEEIQNHPW289 MQDVLLPQET 299 AEIHLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z20 or .Z202 or .Z203 or :3Z20;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:49 or .A:50 or .A:51 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.562
GLY45
3.409
SER46
3.513
GLY47
4.308
PHE49
3.394
GLY50
3.512
SER51
3.768
VAL52
3.533
ALA65
3.510
LYS67
2.874
GLU89
4.392
|
|||||
| Ligand Name: N-[3-[6-[(3R)-piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-yl]oxyphenyl]acetamide | Ligand Info | |||||
| Structure Description | Human Pim-1 kinase in complex with an inhibitor identified by virtual screening | PDB:6YKD | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [62] |
| PDB Sequence |
HHHHPLESQY
38 QVGPLLGSGG48 FGSVYSGIRV58 SDNLPVAIKH68 VEKDRISDWG78 ELPNGTRVPM 88 EVVLLKKVSS98 GFSGVIRLLD108 WFERPDSFVL118 ILERPEPVQD128 LFDFITERGA 138 LQEELARSFF148 WQVLEAVRHC158 HNCGVLHRDI168 KDENILIDLN178 RGELKLIDFG 188 SGALLKDTVY198 TDFDGTRVYS208 PPEWIRYHRY218 HGRSAAVWSL228 GILLYDMVCG 238 DIPFEHDEEI248 IRGQVFFRQR258 VSECQHLIRW269 CLALRPSDRP279 TFEEIQNHPW 289 MQDVLLPQET299 AEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OWB or .OWB2 or .OWB3 or :3OWB;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:124 or .A:126 or .A:127 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Hispidulin | Ligand Info | |||||
| Structure Description | Crystal structure of proto-oncogene kinase Pim1 bound to hispidulin | PDB:4XH6 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [63] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HUL or .HUL2 or .HUL3 or :3HUL;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:120 or .A:121 or .A:122 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | PDB:3JYA | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [64] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LWG or .LWG2 or .LWG3 or :3LWG;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; 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-Chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | PDB:3JY0 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [65] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LYG or .LYG2 or .LYG3 or :3LYG;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:169 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | PDB:3JXW | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [66] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LXG or .LXG2 or .LXG3 or :3LXG;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (3E)-3-[(4-Hydroxyphenyl)imino]-1H-indol-2(3H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of Kinase Pim1 in complex with (3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE | PDB:1YXX | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LI7 or .LI72 or .LI73 or :3LI7;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; 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-Dihydroxy-1-methylquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of Kinase Pim1 in complex with 3,4-Dihydroxy-1-methylquinolin-2(1H)-one | PDB:1YXV | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LI6 or .LI62 or .LI63 or :3LI6;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; 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-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | Ligand Info | |||||
| Structure Description | Human Pim-1 kinase in complex with an triazolo pyridazine inhibitor VX2 | PDB:3BGQ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [67] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VX2 or .VX22 or .VX23 or :3VX2;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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,N-Dimethyl-N'-[3-(1h-Pyrazol-4-Yl)pyrazolo[1,5-A]pyrimidin-5-Yl]ethane-1,2-Diamine | Ligand Info | |||||
| Structure Description | Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | PDB:4MBI | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [68] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .26K or .26K2 or .26K3 or :326K;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-diphenyl-1H-indole-7-carboxylic acid | Ligand Info | |||||
| Structure Description | Human Pim-1 kinase in complex with diphenyl indole inhibitor VX3 | PDB:3BGZ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [67] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGERVP87 MEVVLLKKVS 97 SGFSGVIRLL107 DWFERPDSFV117 LILERPEPVQ127 DLFDFITERG137 ALQEELARSF 147 FWQVLEAVRH157 CHNCGVLHRD167 IKDENILIDL177 NRGELKLIDF187 GSGALLKDTV 197 YTDFDGTRVY207 SPPEWIRYHR217 YHGRSAAVWS227 LGILLYDMVC237 GDIPFEHDEE 247 IIRGQVFFRQ257 RVSECQHLIR268 WCLALRPSDR278 PTFEEIQNHP288 WMQDVLLPQE 298 TAEIHLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VX3 or .VX32 or .VX33 or :3VX3;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Quercetagetin | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 with Quercetagetin | PDB:2O64 | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [2] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYU or .MYU2 or .MYU3 or :3MYU;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(5-Bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human PIM-1 Kinase in complex with inhibitor | PDB:2OBJ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [69] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VRV or .VRV2 or .VRV3 or :3VRV;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
4.048
GLY45
3.612
SER46
3.479
GLY47
4.963
PHE49
3.776
VAL52
3.957
ALA65
3.575
LYS67
2.638
GLU89
4.033
ILE104
3.624
LEU120
3.203
|
|||||
| Ligand Name: (1r,2r)-N-[3-(Naphthalen-2-Yl)pyrazolo[1,5-A]pyrimidin-5-Yl]cyclohexane-1,2-Diamine | Ligand Info | |||||
| Structure Description | Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | PDB:4MBL | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [68] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .26L or .26L2 or .26L3 or :326L;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine | Ligand Info | |||||
| Structure Description | Human Pim-1 complexed with a benzoisoxazole inhibitor VX1 | PDB:3BGP | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [67] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VX1 or .VX12 or .VX13 or :3VX1;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Tricetin | Ligand Info | |||||
| Structure Description | Crystal structure of Pim1 with Pentahydroxyflavone | PDB:2O65 | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [2] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYF or .MYF2 or .MYF3 or :3MYF;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:124 or .A:126 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Indazole analogue 12 | Ligand Info | |||||
| Structure Description | Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide | PDB:6AYD | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [70] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIGGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C2J or .C2J2 or .C2J3 or :3C2J;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:118 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:174 or .A:185 or .A:186 or .A:187 or .A:188; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.796
PHE49
3.759
VAL52
4.322
ALA65
3.550
LYS67
3.656
GLU89
2.393
LEU93
3.469
ILE104
3.932
LEU118
4.776
LEU120
3.572
GLU121
2.725
|
|||||
| Ligand Name: 4-Chloranyl-1-Methyl-2-[4-(4-Methylpiperazin-1-Yl)phenyl]pyrrolo[2,3-B]pyridine-6-Carboxamide | Ligand Info | |||||
| Structure Description | Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor | PDB:5KCX | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [71] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIRGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6S3 or .6S32 or .6S33 or :36S3;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L17 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2X or .E2X2 or .E2X3 or :3E2X;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(2-Chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L12 | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2R or .E2R2 or .E2R3 or :3E2R;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L14 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSECQH265 LIRWCLALRP275 SDRPTFEEIQ285 NHPWMQDVLL 295 PQETAEIHLH305
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2L or .E2L2 or .E2L3 or :3E2L;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L11 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2C or .E2C2 or .E2C3 or :3E2C;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Amino-5,8-Dihydroxy-4-({2-[(2-Hydroxyethyl)amino]ethyl}amino)anthracene-9,10-Dione | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | PDB:4RC2 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [72] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3O8 or .3O82 or .3O83 or :33O8;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:174 or .A:185; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[4-[2-(7-Chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L16 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNCGVLH165 RDIKDENILI175 DLNRGELKLI185 DFGSGALLKD 195 TVYTDFDGTR205 VYSPPEWIRY215 HRYHGRSAAV225 WSLGILLYDM235 VCGDIPFEHD 245 EEIIRGQVFF255 RQRVSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2U or .E2U2 or .E2U3 or :3E2U;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:130 or .A:131 or .A:171 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.409
GLY45
4.203
SER46
4.940
PHE49
3.589
VAL52
4.048
ALA65
3.377
LYS67
2.921
GLU89
4.575
ILE104
4.092
LEU120
3.286
GLU121
3.308
|
|||||
| Ligand Name: 2-Chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L13 | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2F or .E2F2 or .E2F3 or :3E2F;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,4-Dihydroxy-5,8-bis((2-(2-hydroxyethoxy)ethyl)amino)-9,10-anthracenedione | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | PDB:4RC3 | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [73] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIRGQV253 FFRQRVSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3OA or .3OA2 or .3OA3 or :33OA;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:171 or .A:174 or .A:185; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,4,5,8-Tetrahydroxyanthraquinone | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | PDB:4RBL | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [74] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIRGQV253 FFRQRVSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3O7 or .3O72 or .3O73 or :33O7;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | PDB:6L15 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [16] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELTR85 VPMEVVLLKK 95 VSSGFSGVIR105 LLDWFERPDS115 FVLILERPEP125 VQDLFDFITE135 RGALQEELAR 145 SFFWQVLEAV155 RHCHNCGVLH165 RDIKDENILI175 DLNRGELKLI185 DFGSGALLKD 195 TVYTDFDGTR205 VYSPPEWIRY215 HRYHGRSAAV225 WSLGILLYDM235 VCGDIPFEHD 245 EEIIRGQVFF255 RQRVSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2O or .E2O2 or .E2O3 or :3E2O;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; 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-Bis((2-aminoethyl)amino)-5,8-dihydroxy-9,10-anthraquinone | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | PDB:4RC4 | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [75] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3OK or .3OK2 or .3OK3 or :33OK;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene | Ligand Info | |||||
| Structure Description | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | PDB:7XSV | ||||
| Method | X-ray diffraction | Resolution | 2.66 Å | Mutation | No | [76] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I4M or .I4M2 or .I4M3 or :3I4M;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 10-{2-[(2r)-1-Methylpiperidin-2-Yl]ethyl}-2-(Methylsulfanyl)-10h-Phenothiazine | Ligand Info | |||||
| Structure Description | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine | PDB:4IAA | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [77] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RTZ or .RTZ2 or .RTZ3 or :3RTZ;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.616
GLY45
4.381
SER46
4.985
PHE49
3.233
VAL52
3.973
ALA65
3.962
LYS67
3.160
GLU89
4.689
ILE104
4.195
LEU120
3.554
GLU121
3.781
|
|||||
| Ligand Name: 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one | Ligand Info | |||||
| Structure Description | Serine/threonine-protein kinase pim-1 | PDB:5C1Q | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [78] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YK or .4YK2 or .4YK3 or :34YK;style chemicals stick;color identity;select .B:44 or .B:45 or .B:49 or .B:52 or .B:65 or .B:67 or .B:104 or .B:120 or .B:121 or .B:122 or .B:123 or .B:126 or .B:174 or .B:185 or .B:186; 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-(Tert-Butylamino)-3-Methyl-8-[(6r)-6-Methyl-4-Oxo-1,4,5,6-Tetrahydropyrrolo[3,4-B]pyrrol-2-Yl]quinazolin-4(3h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor. | PDB:5IPJ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [79] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6CD or .6CD2 or .6CD3 or :36CD;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; 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-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor. | PDB:5KZI | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [80] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6YN or .6YN2 or .6YN3 or :36YN;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methyl-5-phenylfuran-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of Pim-1 kinase domain in complex with 2-methyl-5-phenylfuran-3-carboxylic acid | PDB:4MTA | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [81] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2D2 or .2D22 or .2D23 or :32D2;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; 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-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor | PDB:6MT0 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [82] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JYG or .JYG2 or .JYG3 or :3JYG;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.840
GLY45
3.967
PHE49
3.487
VAL52
3.856
ALA65
3.343
LYS67
2.645
GLU89
3.730
ILE104
4.285
LEU120
3.694
GLU121
3.403
ARG122
4.111
|
|||||
| Ligand Name: 3-{6-[(4r)-6-Azaspiro[2.5]oct-4-Yloxy]pyrazin-2-Yl}-5-(2,6-Difluorophenyl)-1h-Indazole | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor. | PDB:4WRS | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [83] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3U1 or .3U12 or .3U13 or :33U1;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Macrocyclic Quinoxaline-Pyrrolodihydropiperidinone | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor | PDB:5EOL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [84] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QO or .5QO2 or .5QO3 or :35QO;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a thiazolamine-indazole inhibitor. | PDB:4WSY | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [85] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3U5 or .3U52 or .3U53 or :33U5;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-[5-(5-Amino-1,3,4-Thiadiazol-2-Yl)-1h-Indol-3-Yl]-N-Cyclopentylpyridin-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with a thiadiazolamine-indole inhibitor. | PDB:4WT6 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [85] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3U6 or .3U62 or .3U63 or :33U6;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor. | PDB:4TY1 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [86] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .38W or .38W2 or .38W3 or :338W;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:47 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(4-Cyanobenzyl)-N-(4-Fluorophenyl)-7-Hydroxypyrazolo[1,5-A]pyrimidine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | PDB:4K18 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [87] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSS261 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ 291 DVLLPQETAE301 IHLHSLS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OB or .1OB2 or .1OB3 or :31OB;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.935
GLY45
3.566
SER46
3.760
PHE49
2.775
GLY50
4.012
VAL52
3.497
ALA65
3.763
LYS67
2.820
GLU89
4.275
ILE104
4.242
LEU120
3.338
|
|||||
| Ligand Name: 3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold | PDB:5IIS | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [88] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIRG251 QVFFRQRVSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6CB or .6CB2 or .6CB3 or :36CB;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
2.845
GLY45
2.772
SER46
4.643
PHE49
2.728
VAL52
3.380
ALA65
3.418
LYS67
2.805
GLU89
4.589
ILE104
3.139
LEU120
3.068
GLU121
1.961
|
|||||
| Ligand Name: (5z)-5-{2-[(3r)-3-Aminopiperidin-1-Yl]-3-(Propan-2-Yloxy)benzylidene}-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Novel and selective pan-PIM kinase inhibitor | PDB:4DTK | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [89] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7LI or .7LI2 or .7LI3 or :37LI;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.739
GLY45
3.868
PHE49
3.863
VAL52
3.545
ALA65
3.470
LYS67
2.910
GLU89
4.553
LEU93
4.554
ILE104
3.477
LEU120
3.804
GLU121
3.856
|
|||||
| Ligand Name: 5-Chlorotryptamine | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 with inhibitor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine | PDB:5KGG | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [90] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6SO or .6SO2 or .6SO3 or :36SO;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; 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-(Pyridin-3-yl)-1H-benzo[d]imidazole | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 with inhibitor: 2-pyridin-3-yl-1~{H}-benzimidazole | PDB:5KGD | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [91] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6SL or .6SL2 or .6SL3 or :36SL;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:172 or .A:174 or .A:185 or .A:186; 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-(3,4-Dichlorophenoxy)ethanamine | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 with inhibitor 2-[3,4-bis(chloranyl)phenoxy]ethanamine | PDB:5KGI | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [92] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6SF or .6SF2 or .6SF3 or :36SF;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 with inhibitor: 5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine | PDB:5KGE | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [93] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6SN or .6SN2 or .6SN3 or :36SN;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid | Ligand Info | |||||
| Structure Description | Human PIM1 kinase in complex with compound 12b | PDB:6BSK | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [94] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MVG or .MVG2 or .MVG3 or :3MVG;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU44
3.608
GLY45
4.489
PHE49
3.656
VAL52
3.902
ALA65
3.652
LYS67
2.682
GLU89
4.304
ILE104
3.928
LEU120
3.671
GLU121
3.319
ARG122
3.195
|
|||||
| Ligand Name: 3-(4-methoxyphenyl)-1H-pyrazol-5-amine | Ligand Info | |||||
| Structure Description | Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine | PDB:5KGK | ||||
| Method | X-ray diffraction | Resolution | 2.66 Å | Mutation | No | [95] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6SD or .6SD2 or .6SD3 or :36SD;style chemicals stick;color identity;select .A:44 or .A:52 or .A:65 or .A:67 or .A:89 or .A:93 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | Ligand Info | |||||
| Structure Description | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model | PDB:6VRV | ||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [96] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGELPNGT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WFY or .WFY2 or .WFY3 or :3WFY;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-Fluorophenyl)-7-Hydroxy-5-(Piperidin-4-Yl)pyrazolo[1,5-A]pyrimidine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | PDB:4K0Y | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [87] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OA or .1OA2 or .1OA3 or :31OA;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | Ligand Info | |||||
| Structure Description | PIM-inhibitor complex 1 | PDB:6VRU | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [96] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNG83 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIRGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ROY or .ROY2 or .ROY3 or :3ROY;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4-{4-Chloro-1-Methyl-2-[4-(Piperazin-1-Yl)phenyl]-1h-Pyrrolo[2,3-B]pyridin-3-Yl}phenyl)methanol | Ligand Info | |||||
| Structure Description | Pim-1 kinase in complex with a 7-azaindole | PDB:5TEX | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [71] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7AU or .7AU2 or .7AU3 or :37AU;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:130 or .A:131 or .A:171 or .A:174 or .A:185; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine | Ligand Info | |||||
| Structure Description | Pim-1 kinase in complex with a 7-azaindole | PDB:5TEL | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [71] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 TRVPMEVVLL 93 KKVSSGFSGV103 IRLLDWFERP113 DSFVLILERP123 EPVQDLFDFI133 TERGALQEEL 143 ARSFFWQVLE153 AVRHCHNCGV163 LHRDIKDENI173 LIDLNRGELK183 LIDFGSGALL 193 KDTVYTDFDG203 TRVYSPPEWI213 RYHRYHGRSA223 AVWSLGILLY233 DMVCGDIPFE 243 HDEEIIRGQV253 FFRQRVSSEC263 QHLIRWCLAL273 RPSDRPTFEE283 IQNHPWMQDV 293 LLPQETAEIH303 LHS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7AJ or .7AJ2 or .7AJ3 or :37AJ;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:130 or .A:131 or .A:171 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide | Ligand Info | |||||
| Structure Description | PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | PDB:6NO9 | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [97] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KUV or .KUV2 or .KUV3 or :3KUV;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Cyclopentadienyl(Carbon Monoxide)(7-Oxo-7,10-Dihydro-1,8-Phenanthrolin-10-Yl-Kappa~2~c~10~,N~1~)ruthenium | Ligand Info | |||||
| Structure Description | Pim-1 kinase in complex with Ruthenium-based inhibitor | PDB:3WE8 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [98] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RUI or .RUI2 or .RUI3 or :3RUI;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine | Ligand Info | |||||
| Structure Description | Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole | PDB:3C4E | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [99] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C4E or .C4E2 or .C4E3 or :3C4E;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:174 or .A:185 or .A:186; 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-(2-Fluorophenyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]-5-({[(3r,4r)-3-Fluoropiperidin-4-Yl]methyl}amino)pyrazolo[1,5-A]pyrimidine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | PDB:4K1B | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [87] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OC or .1OC2 or .1OC3 or :31OC;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.388
GLY45
4.238
SER46
4.817
PHE49
4.955
VAL52
3.546
ALA65
3.466
LYS67
2.889
GLU89
4.090
ILE104
3.881
LEU120
3.287
GLU121
2.674
|
|||||
| Ligand Name: 2-[4-(Piperazin-1-Yl)phenyl]-1h-Pyrrolo[2,3-B]pyridine-4-Carbonitrile | Ligand Info | |||||
| Structure Description | Pim-1 kinase in complex with a 7-azaindole | PDB:5TOE | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [71] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 HS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7GK or .7GK2 or .7GK3 or :37GK;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:174 or .A:185 or .A:186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (S)-5-amino-N-(5-(4-aminoazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide | Ligand Info | |||||
| Structure Description | PIM1 in complex with Cpd9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | PDB:6NO8 | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [100] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KUY or .KUY2 or .KUY3 or :3KUY;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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-2-[4-(Piperazin-1-Yl)phenyl]-1h-Pyrrolo[2,3-B]pyridine-4-Carbonitrile | Ligand Info | |||||
| Structure Description | Pim-1 kinase in complex with a 7-azaindole | PDB:5TUR | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [71] |
| PDB Sequence |
LESQYQVGPL
43 LGSGGFGSVY53 SGIRVSDNLP63 VAIKHVEKDR73 ISDWGELPNT84 RVPMEVVLLK 94 KVSFSGVIRL106 LDWFERPDSF116 VLILERPEPV126 QDLFDFITER136 GALQEELARS 146 FFWQVLEAVR156 HCHNCGVLHR166 DIKDENILID176 LNRGELKLID186 FGSGALLKDT 196 VYTDFDGTRV206 YSPPEWIRYH216 RYHGRSAAVW226 SLGILLYDMV236 CGDIPFEHDE 246 EIIRGQVFFR256 QRVSSECQHL266 IRWCLALRPS276 DRPTFEEIQN286 HPWMQDVLLP 296 QETAEIHLHS306
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7LK or .7LK2 or .7LK3 or :37LK;style chemicals stick;color identity;select .A:44 or .A:49 or .A:52 or .A:65 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:131 or .A:171 or .A:174 or .A:185; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3s)-1-{6-[5-(2,6-Difluorophenyl)-2h-Indazol-3-Yl]pyrazin-2-Yl}piperidin-3-Amine | Ligand Info | |||||
| Structure Description | co-crystal structure of Pim1 with compound 3 | PDB:4RPV | ||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | No | [83] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIRGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3UR or .3UR2 or .3UR3 or :33UR;style chemicals stick;color identity;select .A:44 or .A:45 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:127 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design | PDB:3VBQ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [12] |
| PDB Sequence |
ESQYQVGPLL
44 GSGGFGSVYS54 GIRVSDNLPV64 AIKHVEKDRI74 SDWGELPNGT84 RVPMEVVLLK 94 KVSSGFSGVI104 RLLDWFERPD114 SFVLILERPE124 PVQDLFDFIT134 ERGALQEELA 144 RSFFWQVLEA154 VRHCHNCGVL164 HRDIKDENIL174 IDLNRGELKL184 IDFGSGALLK 194 DTVYTDFDGT204 RVYSPPEWIR214 YHRYHGRSAA224 VWSLGILLYD234 MVCGDIPFEH 244 DEEIIRGQVF254 FRQRVSSECQ264 HLIRWCLALR274 PSDRPTFEEI284 QNHPWMQDVL 294 LPQETAEIHL304 H
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0F5 or .0F52 or .0F53 or :30F5;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU44
3.865
GLY45
3.925
SER46
4.763
PHE49
2.647
VAL52
3.788
ALA65
3.489
LYS67
2.905
GLU89
4.427
ILE104
3.817
LEU120
3.596
GLU121
3.364
|
|||||
| Ligand Name: FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX | Ligand Info | |||||
| Structure Description | Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole | PDB:2OI4 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [101] |
| PDB Sequence |
EPLESQYQVG
41 PLLGSGGFGS51 VYSGIRVSDN61 LPVAIKHVEK71 DRISDWGELP81 NGTRVPMEVV 91 LLKKVSSGFS101 GVIRLLDWFE111 RPDSFVLILE121 RPEPVQDLFD131 FITERGALQE 141 ELARSFFWQV151 LEAVRHCHNC161 GVLHRDIKDE171 NILIDLNRGE181 LKLIDFGSGA 191 LLKDTVYTDF201 DGTRVYSPPE211 WIRYHRYHGR221 SAAVWSLGIL231 LYDMVCGDIP 241 FEHDEEIIGG251 QVFFRQRVSS261 ECQHLIRWCL271 ALRPSDRPTF281 EEIQNHPWMQ 291 DVLLPQETAE301 IHLHS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JM1 or .JM12 or .JM13 or :3JM1;style chemicals stick;color identity;select .X:44 or .X:45 or .X:46 or .X:49 or .X:52 or .X:65 or .X:67 or .X:89 or .X:104 or .X:120 or .X:121 or .X:122 or .X:123 or .X:126 or .X:128 or .X:171 or .X:172 or .X:174 or .X:185 or .X:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX | Ligand Info | |||||
| Structure Description | Crystal structure of the human Pim1 in complex with an osmium compound | PDB:3BWF | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [102] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DWC or .DWC2 or .DWC3 or :3DWC;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:89 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:126 or .A:128 or .A:171 or .A:174 or .A:185 or .A:186 or .A:187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PHTALIMIDE-RUTHENIUM COMPLEX | Ligand Info | |||||
| Structure Description | Cyclometalated Phthalimides as Protein Kinase Inhibitors | PDB:4AS0 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [103] |
| PDB Sequence |
PLESQYQVGP
42 LLGSGGFGSV52 YSGIRVSDNL62 PVAIKHVEKD72 RISDWGELPN82 GTRVPMEVVL 92 LKKVSSGFSG102 VIRLLDWFER112 PDSFVLILER122 PEPVQDLFDF132 ITERGALQEE 142 LARSFFWQVL152 EAVRHCHNCG162 VLHRDIKDEN172 ILIDLNRGEL182 KLIDFGSGAL 192 LKDTVYTDFD202 GTRVYSPPEW212 IRYHRYHGRS222 AAVWSLGILL232 YDMVCGDIPF 242 EHDEEIIGGQ252 VFFRQRVSSE262 CQHLIRWCLA272 LRPSDRPTFE282 EIQNHPWMQD 292 VLLPQETAEI302 HLH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RPS or .RPS2 or .RPS3 or :3RPS;style chemicals stick;color identity;select .A:44 or .A:45 or .A:46 or .A:49 or .A:52 or .A:65 or .A:67 or .A:104 or .A:120 or .A:121 or .A:122 or .A:123 or .A:128 or .A:171 or .A:172 or .A:174 or .A:185 or .A:186; 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 | Crystal structures of proto-oncogene kinase Pim1: a target of aberrant somatic hypermutations in diffuse large cell lymphoma. J Mol Biol. 2005 Apr 22;348(1):183-93. | ||||
| REF 2 | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase. Mol Cancer Ther. 2007 Jan;6(1):163-72. | ||||
| REF 3 | A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling. J Med Chem. 2013 Mar 28;56(6):2619-29. | ||||
| REF 4 | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J Biol Chem. 2005 Apr 8;280(14):13728-34. | ||||
| REF 5 | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8. | ||||
| REF 6 | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr D Biol Crystallogr. 2014 Feb;70(Pt 2):392-404. | ||||
| REF 7 | Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. Sci Rep. 2017 Oct 17;7(1):13399. | ||||
| REF 8 | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies. J Med Chem. 2015 Nov 12;58(21):8373-86. | ||||
| REF 9 | Crystal structure of human PIM1 kinase domain | ||||
| REF 10 | Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V. | ||||
| REF 11 | Cell-permeable carboxyl-terminal p27(Kip1) peptide exhibits anti-tumor activity by inhibiting Pim-1 kinase. J Biol Chem. 2011 Jan 28;286(4):2681-8. | ||||
| REF 12 | Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J Med Chem. 2012 Mar 22;55(6):2641-8 | ||||
| REF 13 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. Bioorg Med Chem Lett. 2015 Nov 15;25(22):5258-64. | ||||
| REF 14 | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach. J Chem Inf Model. 2017 Dec 26;57(12):2996-3010. | ||||
| REF 15 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett. 2013 Oct 15;4(12):1193-7. | ||||
| REF 16 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J Chem Inf Model. 2020 Jun 22;60(6):3287-3294. | ||||
| REF 17 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 18 | Human PIM1 | ||||
| REF 19 | Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity. Cancer Res. 2007 Jul 15;67(14):6916-24. | ||||
| REF 20 | Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands | ||||
| REF 21 | Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands | ||||
| REF 22 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 23 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 24 | Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family. Molecules. 2021 Jul 19;26(14):4353. | ||||
| REF 25 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 26 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 27 | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. J Med Chem. 2012 Nov 8;55(21):9312-30. | ||||
| REF 28 | Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands | ||||
| REF 29 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 30 | PIM1 bound to OX0999 | ||||
| REF 31 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 32 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 33 | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a furan-thiazolidinedione ligand | ||||
| REF 34 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 35 | PIM1 bound to benzothiophene inhibitor | ||||
| REF 36 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 37 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 38 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 39 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 40 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 41 | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights. FASEB J. 2010 Sep;24(9):3171-85. | ||||
| REF 42 | Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new Pim kinase inhibitors. J Med Chem. 2009 Oct 22;52(20):6369-81. | ||||
| REF 43 | Human PIM1 | ||||
| REF 44 | Human PIM1 | ||||
| REF 45 | Human PIM1 | ||||
| REF 46 | A crystallographic fragment study with human Pim-1 kinase | ||||
| REF 47 | Discovery and optimization of pyrrolo[1,2-a]pyrazinones leads to novel and selective inhibitors of PIM kinases. Bioorg Med Chem. 2013 Dec 1;21(23):7364-80. | ||||
| REF 48 | 7,8-dichloro-1-oxo-beta-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes. J Med Chem. 2012 Jan 12;55(1):403-13. | ||||
| REF 49 | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg Med Chem Lett. 2015 Feb 1;25(3):474-80. | ||||
| REF 50 | Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1591-7. | ||||
| REF 51 | A crystallographic fragment screen identifies cinnamic acid derivatives as starting points for potent Pim-1 inhibitors. Acta Crystallogr D Biol Crystallogr. 2011 Mar;67(Pt 3):156-66. | ||||
| REF 52 | Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode. J Med Chem. 2009 Apr 9;52(7):1814-27. | ||||
| REF 53 | Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode. PLoS One. 2013 Jul 31;8(7):e70358. | ||||
| REF 54 | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg Med Chem Lett. 2011 May 15;21(10):3050-6. | ||||
| REF 55 | Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability. J Med Chem. 2017 May 25;60(10):4458-4473. | ||||
| REF 56 | The design, synthesis, and biological evaluation of PIM kinase inhibitors. Bioorg Med Chem Lett. 2012 Jun 1;22(11):3732-8. | ||||
| REF 57 | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound. J Med Chem. 2012 Jun 14;55(11):5151-64. | ||||
| REF 58 | A novel Pim-1 kinase inhibitor targeting residues that bind the substrate peptide. J Mol Biol. 2012 Mar 30;417(3):240-52. | ||||
| REF 59 | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Aug 1;68(Pt 8):860-6. | ||||
| REF 60 | Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases. Bioorg Med Chem Lett. 2011 Nov 1;21(21):6366-9. | ||||
| REF 61 | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors. Bioorg Med Chem Lett. 2008 Aug 15;18(16):4482-5. | ||||
| REF 62 | Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors. Mol Inform. 2020 Sep;39(9):e2000109. | ||||
| REF 63 | Total Synthesis of Hispidulin and the Structural Basis for Its Inhibition of Proto-oncogene Kinase Pim-1. J Nat Prod. 2015 Aug 28;78(8):1969-76. | ||||
| REF 64 | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | ||||
| REF 65 | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | ||||
| REF 66 | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | ||||
| REF 67 | Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase. J Med Chem. 2008 Mar 27;51(6):1972-5. | ||||
| REF 68 | Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: a template-based approach. Bioorg Med Chem Lett. 2013 Nov 15;23(22):6178-82. | ||||
| REF 69 | Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase. Bioorg Med Chem Lett. 2007 Mar 15;17(6):1679-83. | ||||
| REF 70 | From PIM1 to PI3KDelta via GSK3beta: Target Hopping through the Kinome. ACS Med Chem Lett. 2017 Sep 7;8(10):1093-1098. | ||||
| REF 71 | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg Med Chem Lett. 2017 Oct 15;27(20):4730-4734. | ||||
| REF 72 | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | ||||
| REF 73 | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | ||||
| REF 74 | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | ||||
| REF 75 | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | ||||
| REF 76 | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors. Bioorg Med Chem Lett. 2022 Sep 15;72:128874. | ||||
| REF 77 | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine | ||||
| REF 78 | Serine/threonine-protein kinase pim-1 | ||||
| REF 79 | Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors. J Med Chem. 2016 Jul 14;59(13):6407-30. | ||||
| REF 80 | Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors. Bioorg Med Chem Lett. 2016 Nov 15;26(22):5580-5590. | ||||
| REF 81 | Large scale meta-analysis of fragment-based screening campaigns: privileged fragments and complementary technologies. J Biomol Screen. 2015 Jun;20(5):588-96. | ||||
| REF 82 | Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies. J Med Chem. 2019 Feb 14;62(3):1523-1540. | ||||
| REF 83 | The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors. Bioorg Med Chem Lett. 2015 Feb 15;25(4):834-40. | ||||
| REF 84 | Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors. ACS Med Chem Lett. 2016 Feb 12;7(4):408-12. | ||||
| REF 85 | Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors. Bioorg Med Chem Lett. 2015 Feb 15;25(4):775-80. | ||||
| REF 86 | The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors. Bioorg Med Chem Lett. 2015 Feb 15;25(4):847-55. | ||||
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| REF 88 | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. Bioorg Med Chem Lett. 2016 May 1;26(9):2328-32. | ||||
| REF 89 | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4599-604. | ||||
| REF 90 | Structure of PIM1 in complex with inhibitor | ||||
| REF 91 | Structure of PIM1 in complex with inhibitor | ||||
| REF 92 | Structure of PIM1 in complex with inhibitor | ||||
| REF 93 | Structure of PIM1 in complex with inhibitor | ||||
| REF 94 | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases. Bioorg Med Chem Lett. 2018 May 1;28(8):1336-1341. | ||||
| REF 95 | Structure of PIM1 in complex with inhibitor | ||||
| REF 96 | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg Med Chem Lett. 2020 Dec 1;30(23):127625. | ||||
| REF 97 | Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma. J Med Chem. 2019 Feb 28;62(4):2140-2153. | ||||
| REF 98 | Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor. ChemistryOpen. 2013 Dec;2(5-6):180-5. | ||||
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| REF 100 | Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma | ||||
| REF 101 | Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand. Org Biomol Chem. 2007 Apr 21;5(8):1218-27. | ||||
| REF 102 | Similar biological activities of two isostructural ruthenium and osmium complexes. Chemistry. 2008;14(16):4816-22. | ||||
| REF 103 | Bioactive cyclometalated phthalimides: design, synthesis and kinase inhibition. Dalton Trans. 2012 Aug 21;41(31):9337-48. | ||||
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