UniProt O75385
Serine/threonine-protein kinase ULK1 (O75385)
Serine/threonine-protein kinase ULK1 (UniProt O75385), EC 2.7.11.1: 19 experimental structures on GenesisL1, 14 ligands bound, 59 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- O75385
- Protein
- Serine/threonine-protein kinase ULK1
- EC
- 2.7.11.1
- Experimental structures
- 19
- Predicted models
- 0
- Ligands
- 14
- Pockets
- 59 · 10 records with a druggable one
Structures
19 records of O75385 in the MolNFT archive: 19 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4WNO | Structure of ULK1 bound to an inhibitor | x-ray diffraction | A | — | — |
| 4WNP | Structure of ULK1 bound to a potent inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 5CI7 | Structure of ULK1 bound to a selective inhibitor | x-ray diffraction | A | 51W | 2 (best 0.65) |
| 5CI7 | Structure of ULK1 bound to a selective inhibitor | x-ray diffraction | A | — | — |
| 6HYO | Structure of ULK1 LIR motif bound to GABARAP | x-ray diffraction | A | — | — |
| 6HYO | Structure of ULK1 lir motif bound to gabarap | x-ray diffraction | A | — | — |
| 6MNH | ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC | x-ray diffraction | A | JVD, CL | — |
| 6MNH | ULK1 unc-51 like autophagy activating kinase in complex with inhibitor btc | x-ray diffraction | A | JVD, CL | — |
| 6QAS | Crystal structure of ULK1 in complexed with PF-03814735 | x-ray diffraction | A, B | SO4, 34W | 6 (best 0.79) |
| 6QAS | Crystal structure of ULK1 in complexed with pf-03814735 | x-ray diffraction | A, B | SO4, 34W | — |
| 8P5H | Kinase domain of mutant human ULK1 in complex with compound CCT241533 | x-ray diffraction | A, B | XBJ, MG, NA | 3 (best 0.70) |
| 8P5I | Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 | x-ray diffraction | A, B, C, D | WYX, MG, NA | 13 (best 0.70) |
| 8P5J | Kinase domain of mutant human ULK1 in complex with compound WZ4003 | x-ray diffraction | A, B | WYT, MG, NA | 3 (best 0.69) |
| 8P5K | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | x-ray diffraction | A, B, C, D | HVH, MG, PO4 | 8 (best 0.80) |
| 8P5L | Kinase domain of mutant human ULK1 in complex with compound MRT67307 | x-ray diffraction | A, B | 1FV, MG | 4 (best 0.74) |
| 8SOI | Structure of human ULK1 complex core (2:1:1 stoichiometry) | electron microscopy | C | — | 4 (best 0.79) |
| 8SQZ | Structure of human ULK1 complex core (2:2:2 stoichiometry) in the PI3KC3-C1 mixture | electron microscopy | C, D | — | 11 (best 0.78) |
| 8SV9 | Crystal structure of ULK1 kinase domain with inhibitor MR-2088 | x-ray diffraction | A, B | WXH, SO4 | 5 (best 0.73) |
| O75385 | AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase ULK1 (O75385) | — | — | — |
Ligands
- MG · Magnesium ion · in 5 records
- NA · Sodium ion · in 3 records
- SO4 · Sulfate ion · in 3 records
- 34W · N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide · in 2 records
- CL · Chloride ion · in 2 records
- JVD · N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide · in 2 records
- 1FV · N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl) phenyl]amino}pyrimidin-4-yl) amino]propyl}cyclobutanecarboxamide · in 1 record
- 51W · N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide · in 1 record
- HVH · ~{N}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide · in 1 record
- PO4 · Phosphate ion · in 1 record
- WXH · (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide · in 1 record
- WYT · ~{N}-[3-[5-chloranyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]oxyphenyl]propanamide · in 1 record
- WYX · 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one · in 1 record
- XBJ · 4-fluoro-2-(4-{[(3S,4R)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol · in 1 record
Experiment against prediction
- 6HYO chain A against the predicted model O95166: TM-score 0.88, RMSD 0.51 Å
- 6HYO chain A against the predicted model O95166: TM-score 0.88, RMSD 0.51 Å
Elsewhere
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