UniProt Q9NYV4
Cyclin-dependent kinase 12 (Q9NYV4)
Cyclin-dependent kinase 12 (UniProt Q9NYV4), EC 2.7.11.22, 2.7.11.23: 46 experimental structures and 1 predicted model on GenesisL1, 34 ligands bound, 432 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9NYV4
- Protein
- Cyclin-dependent kinase 12
- EC
- 2.7.11.22, 2.7.11.23
- Experimental structures
- 46
- Predicted models
- 1
- Ligands
- 34
- Pockets
- 432 · 35 records with a druggable one
Structures
47 records of Q9NYV4 in the MolNFT archive: 46 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4CXA | Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP | x-ray diffraction | A, C | — | — |
| 4CXA | Crystal structure of the human CDK12-cyclin K complex bound to amppnp | x-ray diffraction | A, C | — | — |
| 4NST | Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride | x-ray diffraction | A, C | — | — |
| 4NST | Crystal structure of human CDK12/CYCLIN K in complex with ADP-aluminum fluoride | x-ray diffraction | A, C | — | — |
| 4UN0 | Crystal structure of the human CDK12-cyclinK complex | x-ray diffraction | C, D | — | — |
| 4UN0 | Crystal structure of the human CDK12-cyclink complex | x-ray diffraction | C, D | — | — |
| 5ACB | Crystal Structure of the Human Cdk12-Cyclink Complex | x-ray diffraction | C, D | 5I1 | 12 (best 0.64) |
| 5ACB | Crystal structure of the human CDK12-cyclink complex | x-ray diffraction | C, D | — | — |
| 6B3E | Crystal structure of human CDK12/CyclinK in complex with an inhibitor | x-ray diffraction | A, C | MG, CJM | 12 (best 0.74) |
| 6B3E | Crystal structure of human CDK12/CYCLINK in complex with an inhibitor | x-ray diffraction | A, C | MG, CJM | — |
| 6CKX | Structure of CDK12/CycK in complex with a small molecule inhibitor… | x-ray diffraction | A, C | MG, 8M1 | 10 (best 0.67) |
| 6CKX | Structure of CDK12/CYCK in complex with a small molecule inhibitor N… | x-ray diffraction | A, C | MG, 8M1 | — |
| 6TD3 | Structure of DDB1 bound to CR8-engaged CDK12-cyclinK | x-ray diffraction | B, E, H | RC8 | 17 (best 0.82) |
| 6TD3 | Structure of DDB1 bound to CR8-engaged CDK12-cyclink | x-ray diffraction | B, E, H | RC8 | — |
| 7NXK | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | x-ray diffraction | A, C | UUB | 16 (best 0.69) |
| 7NXK | Crystal structure of human CDK12/CYCLIN K in complex with the inhibitor bsj-01-175 | x-ray diffraction | A, C | UUB | — |
| 8BU1 | Structure of DDB1 bound to DS17-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RQL | 14 (best 0.81) |
| 8BU2 | Structure of DDB1 bound to DS18-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RVQ, SO4 | 13 (best 0.81) |
| 8BU3 | Structure of DDB1 bound to DS19-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RSI, SO4 | 12 (best 0.79) |
| 8BU4 | Structure of DDB1 bound to DS22-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RQL, SO4 | 14 (best 0.81) |
| 8BU5 | Structure of DDB1 bound to SR-4835-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RMF, SO4 | 12 (best 0.81) |
| 8BU6 | Structure of DDB1 bound to DS55-engaged CDK12-cyclin K | x-ray diffraction | H, E, B | RQE | 12 (best 0.80) |
| 8BU7 | Structure of DDB1 bound to 21195-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RS5, SO4 | 14 (best 0.82) |
| 8BU9 | Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RRC | 12 (best 0.79) |
| 8BUA | Structure of DDB1 bound to 919278-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RVH | 11 (best 0.80) |
| 8BUB | Structure of DDB1 bound to dCeMM4-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RNU | 12 (best 0.83) |
| 8BUC | Structure of DDB1 bound to dCeMM3-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RKO | 13 (best 0.81) |
| 8BUD | Structure of DDB1 bound to Z7-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RP9, SO4 | 15 (best 0.80) |
| 8BUE | Structure of DDB1 bound to Z11-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RVU, SO4 | 15 (best 0.81) |
| 8BUF | Structure of DDB1 bound to Z12-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RW6, SO4 | 11 (best 0.80) |
| 8BUG | Structure of DDB1 bound to HQ461-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RPW | 12 (best 0.79) |
| 8BUH | Structure of DDB1 bound to WX3-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RR9 | 9 (best 0.78) |
| 8BUI | Structure of DDB1 bound to DRF-053-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RV6, SO4 | 12 (best 0.80) |
| 8BUJ | Structure of DDB1 bound to DS06-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RUW, SO4 | 14 (best 0.81) |
| 8BUK | Structure of DDB1 bound to DS08-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RWE, SO4 | 13 (best 0.82) |
| 8BUL | Structure of DDB1 bound to DS11-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RSU, SO4 | 12 (best 0.80) |
| 8BUM | Structure of DDB1 bound to DS15-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | T6X, SO4 | 13 (best 0.80) |
| 8BUN | Structure of DDB1 bound to DS16-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RNF, SO4 | 13 (best 0.81) |
| 8BUO | Structure of DDB1 bound to DS24-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RLC, SO4 | 13 (best 0.80) |
| 8BUP | Structure of DDB1 bound to DS30-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RWN, SO4 | 10 (best 0.80) |
| 8BUQ | Structure of DDB1 bound to DS43-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RQ9 | 10 (best 0.78) |
| 8BUR | Structure of DDB1 bound to DS50-engaged CDK12-cyclin K | x-ray diffraction | E, B, H | RQU | 13 (best 0.80) |
| 8BUS | Structure of DDB1 bound to DS59-engaged CDK12-cyclin K | x-ray diffraction | E, B, H | RMX, SO4 | 14 (best 0.82) |
| 8BUT | Structure of DDB1 bound to DS61-engaged CDK12-cyclin K | x-ray diffraction | B, E, H | RQ5 | 12 (best 0.80) |
| 8P81 | Crystal structure of human Cdk12/Cyclin K in complex with inhibitor SR-4835 | x-ray diffraction | A | RMF | 2 (best 0.65) |
| 9FMR | Structure of DDB1/Cdk12/Cyclin K with molecular glue SR-4835 | x-ray diffraction | B, E, H | RMF | 13 (best 0.87) |
| Q9NYV4 | AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 12 (Q9NYV4) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 17 records
- MG · Magnesium ion · in 4 records
- RMF · ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine · in 3 records
- 8M1 · N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide · in 2 records
- CJM · 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl) methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol · in 2 records
- RC8 · (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl) amino]-9H-purin-2-yl}amino)butan-1-ol · in 2 records
- RQL · (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol · in 2 records
- UUB · (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl) pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide · in 2 records
- 5I1 · N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide · in 1 record
- RKO · 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide · in 1 record
- RLC · (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol · in 1 record
- RMX · 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide · in 1 record
- RNF · (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol · in 1 record
- RNU · ~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide · in 1 record
- RP9 · ~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide · in 1 record
- RPW · 2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide · in 1 record
- RQ5 · 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol · in 1 record
- RQ9 · (2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol · in 1 record
- RQE · ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine · in 1 record
- RQU · ~{N}-[2-(2-methoxyphenyl)ethyl]-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanamide · in 1 record
- RR9 · 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one · in 1 record
- RRC · R-roscovitine · in 1 record
- RS5 · 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one · in 1 record
- RSI · 2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine · in 1 record
- RSU · (2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol · in 1 record
- RUW · (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol · in 1 record
- RV6 · (2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol · in 1 record
- RVH · (2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide · in 1 record
- RVQ · ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine · in 1 record
- RVU · ~{N}-(1~{H}-benzimidazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide · in 1 record
Experiment against prediction
- 6CKX chain A against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.71 Å
- 6CKX chain A against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.71 Å
- 6B3E chain A against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.74 Å
- 6B3E chain A against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.74 Å
- 4NST chain C against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.87 Å
- 4NST chain C against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.87 Å
- 4NST chain A against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.84 Å
- 4NST chain A against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.84 Å
- 6CKX chain C against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.79 Å
- 6CKX chain C against the predicted model Q9NYV4: TM-score 0.99, RMSD 0.79 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.