UniProt Q99683
Mitogen-activated protein kinase kinase kinase 5 (Q99683)
Mitogen-activated protein kinase kinase kinase 5 (UniProt Q99683), EC 2.7.11.25: 44 experimental structures on GenesisL1, 16 ligands bound, 90 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q99683
- Protein
- Mitogen-activated protein kinase kinase kinase 5
- EC
- 2.7.11.25
- Experimental structures
- 44
- Predicted models
- 0
- Ligands
- 16
- Pockets
- 90 · 9 records with a druggable one
Structures
44 records of Q99683 in the MolNFT archive: 44 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2CLQ | Structure of mitogen-activated protein kinase kinase kinase 5 | x-ray diffraction | A, B | — | — |
| 2CLQ | Structure of mitogen-activated protein kinase kinase kinase 5 | x-ray diffraction | A, B | — | — |
| 3VW6 | Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine… | x-ray diffraction | A, B | — | — |
| 3VW6 | Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine… | x-ray diffraction | A, B | — | — |
| 4BF2 | Crystal Structures of Ask1-inhibitor Complexes | x-ray diffraction | A, B | — | — |
| 4BF2 | Crystal structures of ASK1-inhibitor complexes | x-ray diffraction | A, B | — | — |
| 4BHN | Crystal Structures of Ask1-inhibitor Complexes | x-ray diffraction | A, B | — | — |
| 4BHN | Crystal structures of ASK1-inhibitor complexes | x-ray diffraction | A, B | — | — |
| 4BIB | Crystal Structures of Ask1-inhibitor Complexes | x-ray diffraction | A, B | — | — |
| 4BIB | Crystal structures of ASK1-inhibitor complexes | x-ray diffraction | A, B | — | — |
| 4BIC | Crystal Structures of Ask1-inhibitor Complexes | x-ray diffraction | A, B | — | — |
| 4BIC | Crystal structures of ASK1-inhibitor complexes | x-ray diffraction | A, B | — | — |
| 4BID | Crystal Structures of Ask1-inhibitor Complexes | x-ray diffraction | A, B | — | — |
| 4BID | Crystal structures of ASK1-inhibitor complexes | x-ray diffraction | A, B | — | — |
| 4BIE | Crystal Structures of Ask1-inhibitor Complexes | x-ray diffraction | A, B | — | — |
| 4BIE | Crystal structures of ASK1-inhibitor complexes | x-ray diffraction | A, B | — | — |
| 5ULM | Structure of the ASK1 central regulatory region | x-ray diffraction | A, B | — | — |
| 5ULM | Structure of the ASK1 central regulatory region | x-ray diffraction | A, B | — | — |
| 5UOR | Structure-based design of ASK1 inhibitors as potential first-in-class agents for heart failure | x-ray diffraction | A, B | SO4, 8GV | — |
| 5UOX | Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure | x-ray diffraction | A, B | 8GY | 5 (best 0.61) |
| 5UOX | Structure-based design of ASK1 inhibitors as potential first-in-class agents for heart failure | x-ray diffraction | A, B | 8GY | — |
| 5UP3 | Structure-based design of ASK1 inhibitors as potential first-in-class agents for heart failure | x-ray diffraction | A, B | 8GS | — |
| 5V19 | Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization… | x-ray diffraction | A, B | 8V4 | 6 (best 0.61) |
| 5V19 | Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization… | x-ray diffraction | A, B | 8V4 | — |
| 5V24 | Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization… | x-ray diffraction | A, B | 8V7 | 7 (best 0.63) |
| 5V24 | Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization… | x-ray diffraction | A, B | 8V7 | — |
| 5VIL | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) | x-ray diffraction | A, B, C, D | 9E1 | 14 (best 0.63) |
| 5VIL | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) | x-ray diffraction | A, B, C, D | 9E1 | — |
| 5VIO | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | x-ray diffraction | A, B, C, D | 9E4 | 15 (best 0.64) |
| 5VIO | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | x-ray diffraction | A, B, C, D | 9E4 | — |
| 6E2M | ASK1 kinase domain complex with inhibitor | x-ray diffraction | A, B | KK7 | 5 (best 0.64) |
| 6E2M | ASK1 kinase domain complex with inhibitor | x-ray diffraction | A, B | KK7 | — |
| 6E2N | ASK1 kinase domain complex with inhibitor | x-ray diffraction | A, B | KK8 | — |
| 6E2O | ASK1 kinase domain complex with inhibitor | x-ray diffraction | A, B | S0L | — |
| 6EJL | Structure of 14-3-3 zeta in complex with ASK1 14-3-3 binding motif | x-ray diffraction | C, D | — | — |
| 6OYT | ASK1 kinase domain in complex with GS-4997 | x-ray diffraction | A, B, C, D | NJV | 10 (best 0.64) |
| 6OYT | ASK1 kinase domain in complex with gs-4997 | x-ray diffraction | A, B, C, D | — | — |
| 6OYW | ASK1 kinase domain in complex with Compound 11 | x-ray diffraction | A, B, C, D | NKJ, MG | 8 (best 0.77) |
| 6OYW | ASK1 kinase domain in complex with compound 11 | x-ray diffraction | A, B, C, D | NKJ, MG | — |
| 6VRE | Structure of ASK1 bound to bio-1772961 | x-ray diffraction | A, B | RFG | — |
| 6XIH | Structure-guided optimization of a novel class of ASK1 inhibitors with increased SP3 character and… | x-ray diffraction | A, B | V3S | — |
| 7MU7 | ASK1 bound to compound 3 | x-ray diffraction | A, B | RFG | — |
| 8QGY | Cryo-EM structure of C-terminally truncated Apoptosis signal-regulating kinase 1 (ASK1) | electron microscopy | A, B | — | 20 (best 0.78) |
| Q99683 | AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 5 (Q99683) | — | — | — |
Ligands
- 8GY · 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one · in 2 records
- 8V4 · N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide · in 2 records
- 8V7 · 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide · in 2 records
- 9E1 · 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide · in 2 records
- 9E4 · 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2, 4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide · in 2 records
- KK7 · N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide · in 2 records
- MG · Magnesium ion · in 2 records
- NKJ · (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2, 4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one · in 2 records
- RFG · 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide · in 2 records
- 8GS · 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one · in 1 record
- 8GV · 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one · in 1 record
- KK8 · N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide · in 1 record
- NJV · 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide · in 1 record
- S0L · 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide · in 1 record
- SO4 · Sulfate ion · in 1 record
- V3S · (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide · in 1 record
Elsewhere
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