UniProt Q12852
Mitogen-activated protein kinase kinase kinase 12 (Q12852)
Mitogen-activated protein kinase kinase kinase 12 (UniProt Q12852), EC 2.7.11.25: 16 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 23 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q12852
- Protein
- Mitogen-activated protein kinase kinase kinase 12
- EC
- 2.7.11.25
- Experimental structures
- 16
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 23 · 8 records with a druggable one
Structures
17 records of Q12852 in the MolNFT archive: 16 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5CEN | Crystal structure of DLK (kinase domain) | x-ray diffraction | A | — | 3 (best 0.62) |
| 5CEN | Crystal structure of dlk (kinase domain) | x-ray diffraction | A | — | — |
| 5CEO | DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)p… | x-ray diffraction | A | 50D | — |
| 5CEO | Dlk in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4… | x-ray diffraction | A | — | — |
| 5CEP | DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)… | x-ray diffraction | A | — | — |
| 5CEP | Dlk in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H… | x-ray diffraction | A | — | — |
| 5CEQ | DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)am… | x-ray diffraction | A | — | — |
| 5CEQ | Dlk in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)… | x-ray diffraction | A | — | — |
| 5VO1 | DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H… | x-ray diffraction | A | 9FS | 2 (best 0.58) |
| 5VO1 | Dlk in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3… | x-ray diffraction | A | 9FS | — |
| 5VO2 | DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(t… | x-ray diffraction | A | 9FV | 3 (best 0.60) |
| 5VO2 | Dlk in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)… | x-ray diffraction | A | 9FV | — |
| 8DEG | Crystal structure of DLK in complex with inhibitor DN0011197 | x-ray diffraction | A | SIQ | 3 (best 0.59) |
| 8OUR | Crystal structure of dlk in complex with compound 16 | x-ray diffraction | A | W38 | 3 (best 0.64) |
| 8OUS | Crystal structure of dlk in complex with compound 19 | x-ray diffraction | A | W3I | 3 (best 0.63) |
| 8OUT | Crystal structure of dlk in complex with compound 22 | x-ray diffraction | A | W3C | 3 (best 0.60) |
| Q12852 | AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 12 (Q12852) | predicted | A | — | 3 (best 0.66) |
Ligands
- 9FS · 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine · in 2 records
- 9FV · 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine · in 2 records
- 50D · 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile · in 1 record
- SIQ · methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate · in 1 record
- W38 · 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine · in 1 record
- W3C · (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol · in 1 record
- W3I · (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol · in 1 record
Experiment against prediction
- 5CEO chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.45 Å
- 5CEO chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.45 Å
- 5CEQ chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.49 Å
- 5CEQ chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.49 Å
- 8DEG chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.53 Å
- 5VO2 chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.57 Å
- 5VO2 chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.57 Å
- 8OUR chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.58 Å
- 5VO1 chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.59 Å
- 5VO1 chain A against the predicted model Q12852: TM-score 0.99, RMSD 0.59 Å
Elsewhere
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