UniProt P50750
Cyclin-dependent kinase 9 (P50750)
Cyclin-dependent kinase 9 (UniProt P50750), EC 2.7.11.22, 2.7.11.23: 50 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 23 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P50750
- Protein
- Cyclin-dependent kinase 9
- EC
- 2.7.11.22, 2.7.11.23
- Experimental structures
- 50
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 23 · 3 records with a druggable one
Structures
51 records of P50750 in the MolNFT archive: 50 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3BLH | Crystal Structure of Human CDK9/cyclinT1 | x-ray diffraction | A | — | — |
| 3BLH | Crystal structure of human CDK9/CYCLINT1 | x-ray diffraction | A | — | — |
| 3BLQ | Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP | x-ray diffraction | A | — | — |
| 3BLQ | Crystal structure of human CDK9/CYCLINT1 in complex with ATP | x-ray diffraction | A | — | — |
| 3BLR | Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol | x-ray diffraction | A | — | — |
| 3BLR | Crystal structure of human CDK9/CYCLINT1 in complex with flavopiridol | x-ray diffraction | A | — | — |
| 3LQ5 | Structure of CDK9/CyclinT in complex with S-CR8 | x-ray diffraction | A | — | — |
| 3LQ5 | Structure of CDK9/CYCLINT in complex with S-CR8 | x-ray diffraction | A | — | — |
| 3MI9 | Crystal structure of HIV-1 Tat complexed with human P-TEFb | x-ray diffraction | A | — | — |
| 3MI9 | Crystal structure of HIV-1 tat complexed with human P-tefb | x-ray diffraction | A | — | — |
| 3MIA | Crystal structure of HIV-1 Tat complexed with ATP-bound human P-TEFb | x-ray diffraction | A | — | — |
| 3MIA | Crystal structure of HIV-1 tat complexed with ATP-bound human P-tefb | x-ray diffraction | A | — | — |
| 3MY1 | Structure of CDK9/cyclinT1 in complex with DRB | x-ray diffraction | A | — | — |
| 3MY1 | Structure of CDK9/CYCLINT1 in complex with drb | x-ray diffraction | A | — | — |
| 3TN8 | CDK9/cyclin T in complex with CAN508 | x-ray diffraction | A | — | — |
| 3TN8 | CDK9/CYCLIN T in complex with CAN508 | x-ray diffraction | A | — | — |
| 3TNH | CDK9/cyclin T in complex with CAN508 | x-ray diffraction | A | — | — |
| 3TNH | CDK9/CYCLIN T in complex with CAN508 | x-ray diffraction | A | — | — |
| 3TNI | structure of CDK9/cyclin T F241L | x-ray diffraction | A | — | — |
| 3TNI | Structure of CDK9/CYCLIN T F241L | x-ray diffraction | A | — | — |
| 4BCF | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCF | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCG | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCG | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCH | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCH | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCI | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCI | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCJ | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4BCJ | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | x-ray diffraction | A | — | — |
| 4EC8 | Structure of full length CDK9 in complex with cyclinT and DRB | x-ray diffraction | A | — | — |
| 4EC8 | Structure of full length CDK9 in complex with cyclint and drb | x-ray diffraction | A | — | — |
| 4EC9 | Crystal structure of full-length cdk9 in complex with cyclin t | x-ray diffraction | A | — | — |
| 4EC9 | Crystal structure of full-length CDK9 in complex with cyclin T | x-ray diffraction | A | — | — |
| 4IMY | The AFF4 scaffold binds human P-TEFb adjacent to HIV Tat | x-ray diffraction | A, C, E | — | — |
| 4IMY | The AFF4 scaffold binds human P-tefb adjacent to HIV tat | x-ray diffraction | A, C, E | — | — |
| 4OGR | crystal structure of P-TEFb complex with AFF4 and Tat | x-ray diffraction | A, E, I | — | — |
| 4OGR | Crystal structure of P-tefb complex with AFF4 and tat | x-ray diffraction | A, E, I | — | — |
| 4OR5 | Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4 | x-ray diffraction | A, F | — | — |
| 4OR5 | Crystal structure of HIV-1 tat complexed with human P-tefb and AFF4 | x-ray diffraction | A, F | — | — |
| 5L1Z | TAR complex with HIV-1 Tat-AFF4-P-TEFb | x-ray diffraction | A | — | 7 (best 0.69) |
| 5L1Z | Tar complex with HIV-1 tat-AFF4-P-tefb | x-ray diffraction | A | — | — |
| 6CYT | HIV-1 tar loop in complex with TAT:AFF4:P-tefb | x-ray diffraction | A | — | — |
| 6GZH | Crystal Structure of Human CDK9/cyclinT1 with A86 | x-ray diffraction | A | LCI | — |
| 6GZH | Crystal structure of human CDK9/CYCLINT1 with A86 | x-ray diffraction | A | LCI | — |
| 6W9E | Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 | x-ray diffraction | A | TO7, TOJ | 9 (best 0.69) |
| 6W9E | Crystal structure of human CDK9/CYCLINT1 in complex with MC180295 | x-ray diffraction | A | TO7, TOJ | — |
| 6Z45 | CDK9-cyclin-T1 complex bound by compound 24 | x-ray diffraction | A | Q6E | — |
| 7NWK | Crystal structure of CDK9-cyclin T1 bound by compound 6 | x-ray diffraction | A | UT5 | — |
| 8K5R | CDK9/cyclin T1 in complex with KB-0742 | x-ray diffraction | A | VQE | 7 (best 0.59) |
| P50750 | AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 9 (P50750) | predicted | A | — | — |
Ligands
- LCI · [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium · in 2 records
- TO7 · (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone · in 2 records
- TOJ · (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone · in 2 records
- Q6E · (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl) pyridin-2-yl]cyclohexane-1-carboxamide · in 1 record
- UT5 · N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide · in 1 record
- VQE · (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine · in 1 record
Experiment against prediction
- 7NWK chain A against the predicted model P50750: TM-score 0.99, RMSD 0.64 Å
- 4BCF chain A against the predicted model P50750: TM-score 0.99, RMSD 0.74 Å
- 4BCF chain A against the predicted model P50750: TM-score 0.99, RMSD 0.74 Å
- 4OGR chain E against the predicted model P50750: TM-score 0.99, RMSD 0.74 Å
- 4OGR chain E against the predicted model P50750: TM-score 0.99, RMSD 0.74 Å
- 3TNH chain A against the predicted model P50750: TM-score 0.99, RMSD 0.83 Å
- 3TNH chain A against the predicted model P50750: TM-score 0.99, RMSD 0.83 Å
- 3LQ5 chain A against the predicted model P50750: TM-score 0.99, RMSD 0.76 Å
- 3LQ5 chain A against the predicted model P50750: TM-score 0.99, RMSD 0.76 Å
- 4BCH chain A against the predicted model P50750: TM-score 0.99, RMSD 0.78 Å
Elsewhere
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