UniProt Q15750
Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Q15750)
Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (UniProt Q15750), EC 2.7.11.25: 60 experimental structures and 1 predicted model on GenesisL1, 17 ligands bound, 32…
- UniProt
- Q15750
- Protein
- Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1…
- EC
- 2.7.11.25
- Experimental structures
- 60
- Predicted models
- 1
- Ligands
- 17
- Pockets
- 32 · 8 records with a druggable one
Structures
61 records of Q15750 in the MolNFT archive: 60 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2J4O | Structure of TAB1 | x-ray diffraction | A | — | — |
| 2J4O | Structure of TAB1 | x-ray diffraction | A | — | — |
| 2POM | TAB1 with manganese ion | x-ray diffraction | A | — | — |
| 2POM | TAB1 with manganese ion | x-ray diffraction | A | — | — |
| 2POP | The Crystal Structure of TAB1 and BIR1 complex | x-ray diffraction | A, C | — | — |
| 2POP | The crystal structure of TAB1 and BIR1 complex | x-ray diffraction | A, C | — | — |
| 2YDS | CpOGA D298N in complex with TAB1-derived O-GlcNAc peptide | x-ray diffraction | T | — | — |
| 2YDS | Cpoga D298N in complex with TAB1-derived O-glcnac peptide | x-ray diffraction | T | — | — |
| 2YIY | Crystal structure of compound 8 bound to TAK1-TAB | x-ray diffraction | A | — | — |
| 2YIY | Crystal structure of compound 8 bound to TAK1-tab | x-ray diffraction | A | — | — |
| 4AY6 | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | x-ray diffraction | E, F, G, H | — | — |
| 4AY6 | Human O-glcnac transferase (ogt) in complex with udp-5SGLCNAC and substrate peptide | x-ray diffraction | E, F, G, H | — | — |
| 4GS6 | Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol | x-ray diffraction | A | — | — |
| 4GS6 | Irreversible inhibition of TAK1 kinase by 5Z-7-oxozeaenol | x-ray diffraction | A | — | — |
| 4KA3 | Structure of MAP kinase in complex with a docking peptide | x-ray diffraction | B | — | — |
| 4KA3 | Structure of MAP kinase in complex with a docking peptide | x-ray diffraction | B | — | — |
| 4L3P | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyrid… | x-ray diffraction | A | — | — |
| 4L3P | Crystal structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)… | x-ray diffraction | A | — | — |
| 4L52 | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyra… | x-ray diffraction | A | — | — |
| 4L52 | Crystal structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)… | x-ray diffraction | A | — | — |
| 4L53 | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin… | x-ray diffraction | A | — | — |
| 4L53 | Crystal structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7… | x-ray diffraction | A | — | — |
| 4O91 | Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 4O91 | Crystal structure of type II inhibitor NG25 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 5DIY | Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N | x-ray diffraction | P, Q | NAG | — |
| 5DIY | Thermobaculum terrenum O-glcnac hydrolase mutant - D120N | x-ray diffraction | P, Q | — | — |
| 5E7R | Crystal structure of TL10-81 bound to TAK1-TAB1 | x-ray diffraction | A | 5KW | — |
| 5E7R | Crystal structure of TL10-81 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 5GJD | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | x-ray diffraction | A | 6V3 | — |
| 5GJD | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | x-ray diffraction | A | — | — |
| 5GJF | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | x-ray diffraction | A | 6V4 | — |
| 5GJF | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | x-ray diffraction | A | — | — |
| 5GJG | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | x-ray diffraction | A | 6V5 | — |
| 5GJG | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | x-ray diffraction | A | — | — |
| 5J7S | Crystal structure of SM1-71 bound to TAK1-TAB1 | x-ray diffraction | A | 6H3 | 4 (best 0.62) |
| 5J7S | Crystal structure of SM1-71 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 5J8I | Crystal structure of TL11-113 bound to TAK1-TAB1 | x-ray diffraction | A | 6H4 | — |
| 5J8I | Crystal structure of TL11-113 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 5J9L | Crystal structure of CPT1691 bound to TAK1-TAB1 | x-ray diffraction | A | 6HF | 3 (best 0.55) |
| 5J9L | Crystal structure of CPT1691 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 5JGA | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11C | x-ray diffraction | A | — | — |
| 5JGB | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | x-ray diffraction | A | 6JV | 4 (best 0.60) |
| 5JGB | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | x-ray diffraction | A | — | — |
| 5JGD | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | x-ray diffraction | A | 6KD | — |
| 5JGD | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | x-ray diffraction | A | — | — |
| 5JH6 | Crystal structure of TL10-92 bound to TAK1-TAB1 | x-ray diffraction | A | T92 | 3 (best 0.66) |
| 5JH6 | Crystal structure of TL10-92 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 5JK3 | Crystal structure of TL11-128 bound to TAK1-TAB1 | x-ray diffraction | A | 6L4 | — |
| 5JK3 | Crystal structure of TL11-128 bound to TAK1-TAB1 | x-ray diffraction | A | — | — |
| 5NZZ | Crystal structure of phosphorylated p38aMAPK in complex with TAB1 | x-ray diffraction | A, B, C, D | NI | — |
| 5NZZ | Crystal structure of phosphorylated P38AMAPK in complex with TAB1 | x-ray diffraction | A, B, C, D | NI | — |
| 5O90 | Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. | x-ray diffraction | B | — | — |
| 5O90 | Crystal structure of a P38ALPHA T185G mutant in complex with TAB1 peptide. | x-ray diffraction | B | — | — |
| 5V5N | Crystal structure of Takinib bound to TAK1 | x-ray diffraction | A | EDH | 2 (best 0.58) |
| 5V5N | Crystal structure of takinib bound to TAK1 | x-ray diffraction | A | EDH | — |
| 7NTH | Structure of TAK1 in complex with compound 54 | x-ray diffraction | A | URW | — |
| 7NTI | Structure of TAK1 in complex with compound 22 | x-ray diffraction | A | UWZ | — |
| 8GW3 | Crystal structure of human TAK1 kinase domain fused with TAB1 | x-ray diffraction | A, B, C, D | — | 10 (best 0.86) |
| 8XI8 | The Crystal Structure of TAB1 from Biortus. | x-ray diffraction | A | — | 1 (best 0.46) |
| 9FPD | Crystal structure of human TAK1/TAB1 fusion protein in complex with compound S1 | x-ray diffraction | A | A1IED | 2 (best 0.58) |
1 record more on the page itself.
Ligands
- EDH · N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene) benzene-1,3-dicarboxamide · in 2 records
- NI · Nickel (II) ion · in 2 records
- 5KW · 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide · in 1 record
- 6H3 · N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl) phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide · in 1 record
- 6H4 · N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide · in 1 record
- 6HF · N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide · in 1 record
- 6JV · N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide · in 1 record
- 6KD · N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide · in 1 record
- 6L4 · ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide · in 1 record
- 6V3 · 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea · in 1 record
- 6V4 · N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide · in 1 record
- 6V5 · N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide · in 1 record
- A1IED · 6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide · in 1 record
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 1 record
- T92 · 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate · in 1 record
- URW · 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide · in 1 record
- UWZ · ~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide · in 1 record
Experiment against prediction
- 8XI8 chain A against the predicted model Q15750: TM-score 0.98, RMSD 1.01 Å
- 2POM chain A against the predicted model Q15750: TM-score 0.98, RMSD 1.07 Å
- 2POM chain A against the predicted model Q15750: TM-score 0.98, RMSD 1.07 Å
- 2J4O chain A against the predicted model Q15750: TM-score 0.98, RMSD 1.05 Å
- 2J4O chain A against the predicted model Q15750: TM-score 0.98, RMSD 1.05 Å
- 2POP chain A against the predicted model Q15750: TM-score 0.98, RMSD 0.97 Å
- 2POP chain A against the predicted model Q15750: TM-score 0.98, RMSD 0.97 Å
- 2POP chain C against the predicted model Q15750: TM-score 0.98, RMSD 0.99 Å
- 2POP chain C against the predicted model Q15750: TM-score 0.98, RMSD 0.99 Å
- 5NZZ chain C against the predicted model Q15750: TM-score 0.96, RMSD 1.64 Å
Elsewhere
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