UniProt P49336
Cyclin-dependent kinase 8 (P49336)
Cyclin-dependent kinase 8 (UniProt P49336), EC 2.7.11.22, 2.7.11.23: 63 experimental structures and 1 predicted model on GenesisL1, 19 ligands bound, 134 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P49336
- Protein
- Cyclin-dependent kinase 8
- EC
- 2.7.11.22, 2.7.11.23
- Experimental structures
- 63
- Predicted models
- 1
- Ligands
- 19
- Pockets
- 134 · 16 records with a druggable one
Structures
64 records of P49336 in the MolNFT archive: 63 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3RGF | Crystal Structure of human CDK8/CycC | x-ray diffraction | A | — | — |
| 3RGF | Crystal structure of human CDK8/CYCC | x-ray diffraction | A | — | — |
| 4CRL | Crystal structure of human CDK8-Cyclin C in complex with cortistatin A | x-ray diffraction | A | — | — |
| 4CRL | Crystal structure of human CDK8-cyclin C in complex with cortistatin a | x-ray diffraction | A | — | — |
| 4F6S | Crystal structure of human CDK8/CYCC in complex with compound 7… | x-ray diffraction | A | — | — |
| 4F6S | Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3… | x-ray diffraction | A | — | — |
| 4F6U | Crystal structure of human CDK8/CYCC in complex with compound 5… | x-ray diffraction | A | — | — |
| 4F6U | Crystal structure of human CDK8/CYCC in complex with compound 5 (1-[3… | x-ray diffraction | A | — | — |
| 4F6W | Crystal structure of human CDK8/CYCC in complex with compound 1… | x-ray diffraction | A | — | — |
| 4F6W | Crystal structure of human CDK8/CYCC in complex with compound 1 (N-[3… | x-ray diffraction | A | — | — |
| 4F70 | Crystal structure of human CDK8/CYCC in complex with compound 4… | x-ray diffraction | A | — | — |
| 4F70 | Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3… | x-ray diffraction | A | — | — |
| 4F7J | Crystal structure of human CDK8/CYCC in complex with compound 3… | x-ray diffraction | A | — | — |
| 4F7J | Crystal structure of human CDK8/CYCC in complex with compound 3 (1-[3… | x-ray diffraction | A | — | — |
| 4F7L | Crystal structure of human CDK8/CYCC in complex with compound 2 (tert-butyl… | x-ray diffraction | A | — | — |
| 4F7L | Crystal structure of human CDK8/CYCC in complex with compound 2 (tert- butyl… | x-ray diffraction | A | — | — |
| 4F7N | Crystal structure of human CDK8/CYCC in complex with compound 11… | x-ray diffraction | A | — | — |
| 4F7N | Crystal structure of human CDK8/CYCC in complex with compound 11 (1… | x-ray diffraction | A | — | — |
| 4F7S | Crystal structure of human CDK8/CYCC in the DMG-in conformation | x-ray diffraction | A | — | — |
| 4F7S | Crystal structure of human CDK8/CYCC in the dmg-in conformation | x-ray diffraction | A | — | — |
| 4G6L | Crystal structure of human CDK8/CYCC in the DMG-in conformation | x-ray diffraction | A | — | — |
| 4G6L | Crystal structure of human CDK8/CYCC in the dmg-in conformation | x-ray diffraction | A | — | — |
| 5BNJ | CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin… | x-ray diffraction | A | 4TV | 9 (best 0.71) |
| 5BNJ | CDK8/CYCC in complex with 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)- phenyl]-pyridin… | x-ray diffraction | A | — | — |
| 5CEI | Crystal structure of CDK8:CYCLIN C complex with compound 22 | x-ray diffraction | A | — | — |
| 5FGK | CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro… | x-ray diffraction | A | 5XG | 10 (best 0.70) |
| 5FGK | CDK8-cycc in complex with 8-[3-(3-amino-1H-indazol-6-yl)-5-chloro… | x-ray diffraction | A | — | — |
| 5HBE | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2… | x-ray diffraction | A | 5Y6 | 8 (best 0.75) |
| 5HBE | CDK8-cycc in complex with 8-[3-chloro-5-(1-methyl-2,2-dioxo-2, 3… | x-ray diffraction | A | — | — |
| 5HBH | CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3… | x-ray diffraction | A | 5Y7 | 9 (best 0.73) |
| 5HBH | CDK8-cycc in complex with 5-{5-chloro-4-[1-(2-methoxy-ethyl)-1,8… | x-ray diffraction | A | — | — |
| 5HBJ | CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-s… | x-ray diffraction | A | 5Y8 | 10 (best 0.74) |
| 5HBJ | CDK8-cycc in complex with 8-[2-amino-3-chloro-5-(1-methyl-1H-indazol… | x-ray diffraction | A | — | — |
| 5HNB | CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin… | x-ray diffraction | A | 62M | — |
| 5HNB | CDK8-cycc in complex with [6-hydroxy-3-(3-methyl-benzyl)-1H-indazol-5… | x-ray diffraction | A | — | — |
| 5HVY | CDK8/CYCC in complex with compound 20 | x-ray diffraction | A | 66X | — |
| 5HVY | CDK8/CYCC in complex with compound 20 | x-ray diffraction | A | — | — |
| 5I5Z | CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]nap… | x-ray diffraction | A | 68U | 10 (best 0.73) |
| 5I5Z | CDK8-cycc in complex with 8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2L6… | x-ray diffraction | A | — | — |
| 5ICP | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]t… | x-ray diffraction | A | 69Z | — |
| 5ICP | CDK8-cycc in complex with [(S)-2-(4-chloro-phenyl)-pyrrolidin-1-yl]… | x-ray diffraction | A | — | — |
| 5IDN | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyri… | x-ray diffraction | A | 6A7 | — |
| 5IDN | CDK8-cycc in complex with [(S)-2-(4-chloro-phenyl)-pyrrolidin-1-yl]… | x-ray diffraction | A | — | — |
| 5IDP | CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-metha | x-ray diffraction | A | 6A6 | 11 (best 0.71) |
| 5IDP | CDK8-cycc in complex with (3-amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro… | x-ray diffraction | A | — | — |
| 5XQX | Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide | x-ray diffraction | A | 8CC | 6 (best 0.74) |
| 5XQX | Human CDK8-cycc in complex with compound 4: N-methyl-4-(4-pyridyl)-1H- pyrrole-2-carboxamide | x-ray diffraction | A | 8CC | — |
| 5XS2 | CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide | x-ray diffraction | A | 8D6 | 9 (best 0.78) |
| 5XS2 | CDK8-cycc in complex with compound 17:3-chloro-4-(4-pyridyl)-1H- pyrrole-2-carboxamide | x-ray diffraction | A | 8D6 | — |
| 6QTG | Crystal structure of human CDK8/CYCC in complex with BI-1347 | x-ray diffraction | A | JH8 | 8 (best 0.67) |
| 6QTG | Crystal structure of human CDK8/CYCC in complex with bi-1347 | x-ray diffraction | A | JH8 | — |
| 6QTJ | Crystal structure of human CDK8/CYCC in complex with BI 919811 | x-ray diffraction | A | JHK | 6 (best 0.72) |
| 6QTJ | Crystal structure of human CDK8/CYCC in complex with bi 919811 | x-ray diffraction | A | JHK | — |
| 6R3S | Crystal structure of CDK8-cycc in complex with compound 1 | x-ray diffraction | A | JRE | — |
| 6T41 | CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine | x-ray diffraction | A | MFE | 11 (best 0.71) |
| 6T41 | CDK8/CYCLIN C in complex with N-(4-CHLOROBENZYL)ISOQUINOLIN-4-amine | x-ray diffraction | A | MFE | — |
| 6TPA | CDK8/CyclinC in complex with drug ETP-50775 | x-ray diffraction | A | NZ8, NZ5 | 8 (best 0.75) |
| 6TPA | CDK8/CYCLINC in complex with drug etp-50775 | x-ray diffraction | A | NZ8, NZ5 | — |
| 6Y0A | CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH BI00690300 | x-ray diffraction | A | JRE | 9 (best 0.67) |
| 6Y0A | Crystal structure of CDK8-cycc in complex with BI00690300 | x-ray diffraction | A | JRE | — |
4 records more on the page itself.
Ligands
- JRE · 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide · in 3 records
- 8CC · N-methyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide · in 2 records
- 8D6 · 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide · in 2 records
- JH8 · 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide · in 2 records
- JHK · ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl) phenyl]pyrazol-1-yl]ethanamide · in 2 records
- MFE · ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine · in 2 records
- NZ5 · (2~{R})-butane-1,2-diol · in 2 records
- NZ8 · 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-B][1, 5]benzoxazepin-9-yl)urea · in 2 records
- 4TV · 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one · in 1 record
- 5XG · 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one · in 1 record
- 5Y6 · 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one · in 1 record
- 5Y7 · 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide · in 1 record
- 5Y8 · 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one · in 1 record
- 62M · [6-hydroxy-3-(3-methylbenzyl)-1H-indazol-5-yl][(3S)-3-hydroxypyrrolidin-1-yl]methanone · in 1 record
- 66X · N-{(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-N'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea · in 1 record
- 68U · N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide · in 1 record
- 69Z · [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone · in 1 record
- 6A6 · (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone · in 1 record
- 6A7 · [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone · in 1 record
Experiment against prediction
- 5IDN chain A against the predicted model P49336: TM-score 0.99, RMSD 0.60 Å
- 5IDN chain A against the predicted model P49336: TM-score 0.99, RMSD 0.60 Å
- 6QTJ chain A against the predicted model P49336: TM-score 0.99, RMSD 0.54 Å
- 6QTJ chain A against the predicted model P49336: TM-score 0.99, RMSD 0.54 Å
- 4F70 chain A against the predicted model P49336: TM-score 0.99, RMSD 0.65 Å
- 4F70 chain A against the predicted model P49336: TM-score 0.99, RMSD 0.65 Å
- 6QTG chain A against the predicted model P49336: TM-score 0.99, RMSD 0.62 Å
- 6QTG chain A against the predicted model P49336: TM-score 0.99, RMSD 0.62 Å
- 4F6W chain A against the predicted model P49336: TM-score 0.99, RMSD 0.86 Å
- 4F6W chain A against the predicted model P49336: TM-score 0.99, RMSD 0.86 Å
Elsewhere
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