UniProt Q02750
Dual specificity mitogen-activated protein kinase kinase 1 (Q02750)
Dual specificity mitogen-activated protein kinase kinase 1 (UniProt Q02750), EC 2.7.12.2: 115 experimental structures and 1 predicted model on GenesisL1, 27 ligands bound, 70 pockets. Binding sites, druggability and experiment…
- UniProt
- Q02750
- Protein
- Dual specificity mitogen-activated protein kinase kinase 1
- EC
- 2.7.12.2
- Experimental structures
- 115
- Predicted models
- 1
- Ligands
- 27
- Pockets
- 70 · 11 records with a druggable one
Structures
116 records of Q02750 in the MolNFT archive: 115 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1S9J | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 1S9J | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 2P55 | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 2P55 | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 3DV3 | MEK1 with PF-04622664 Bound | x-ray diffraction | A | — | — |
| 3DV3 | MEK1 with pf-04622664 bound | x-ray diffraction | A | — | — |
| 3DY7 | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 3DY7 | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 3E8N | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a… | x-ray diffraction | A | — | — |
| 3E8N | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a… | x-ray diffraction | A | — | — |
| 3EQB | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 3EQB | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with… | x-ray diffraction | A | — | — |
| 3EQC | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex… | x-ray diffraction | A | — | — |
| 3EQC | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex… | x-ray diffraction | A | — | — |
| 3EQD | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex… | x-ray diffraction | A | — | — |
| 3EQD | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex… | x-ray diffraction | A | — | — |
| 3EQF | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex… | x-ray diffraction | A | — | — |
| 3EQF | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex… | x-ray diffraction | A | — | — |
| 3EQG | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex… | x-ray diffraction | A | — | — |
| 3EQG | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex… | x-ray diffraction | A | — | — |
| 3EQH | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex… | x-ray diffraction | A | — | — |
| 3EQH | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex… | x-ray diffraction | A | — | — |
| 3EQI | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex… | x-ray diffraction | A | — | — |
| 3EQI | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex… | x-ray diffraction | A | — | — |
| 3MBL | Crystal Structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with… | x-ray diffraction | A | — | — |
| 3MBL | Crystal structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with… | x-ray diffraction | A | — | — |
| 3ORN | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | x-ray diffraction | A | — | — |
| 3ORN | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and mgamp-pnp | x-ray diffraction | A | — | — |
| 3OS3 | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | x-ray diffraction | A | — | — |
| 3OS3 | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and mgatp | x-ray diffraction | A | — | — |
| 3PP1 | Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with… | x-ray diffraction | A | — | — |
| 3PP1 | Crystal structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with… | x-ray diffraction | A | — | — |
| 3SLS | Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP | x-ray diffraction | A, B | — | — |
| 3SLS | Crystal structure of human MEK-1 kinase in complex with UCB1353770 and amppnp | x-ray diffraction | A, B | — | — |
| 3V01 | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate… | x-ray diffraction | A | — | — |
| 3V01 | Discovery of novel allosteric MEK inhibitors possessing classical and non-classical bidentate… | x-ray diffraction | A | — | — |
| 3V04 | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate… | x-ray diffraction | A | — | — |
| 3V04 | Discovery of novel allosteric MEK inhibitors possessing classical and non-classical bidentate… | x-ray diffraction | A | — | — |
| 3VVH | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an… | x-ray diffraction | A, B, C | — | — |
| 3VVH | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an… | x-ray diffraction | A, B, C | — | — |
| 3W8Q | Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) | x-ray diffraction | A | — | — |
| 3W8Q | Structure of the human mitogen-activated protein kinase kinase 1 (MEK1) | x-ray diffraction | A | — | — |
| 3WIG | Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP | x-ray diffraction | A | — | — |
| 3WIG | Human MEK1 kinase in complex with CH5126766 and mgamp-pnp | x-ray diffraction | A | — | — |
| 3ZLS | Crystal structure of MEK1 in complex with fragment 6 | x-ray diffraction | A | — | — |
| 3ZLS | Crystal structure of MEK1 in complex with fragment 6 | x-ray diffraction | A | — | — |
| 3ZLW | Crystal structure of MEK1 in complex with fragment 3 | x-ray diffraction | A | — | — |
| 3ZLW | Crystal structure of MEK1 in complex with fragment 3 | x-ray diffraction | A | — | — |
| 3ZLX | Crystal structure of MEK1 in complex with fragment 18 | x-ray diffraction | A | — | — |
| 3ZLX | Crystal structure of MEK1 in complex with fragment 18 | x-ray diffraction | A | — | — |
| 3ZLY | Crystal structure of MEK1 in complex with fragment 8 | x-ray diffraction | A | — | — |
| 3ZLY | Crystal structure of MEK1 in complex with fragment 8 | x-ray diffraction | A | — | — |
| 3ZM4 | Crystal structure of MEK1 in complex with fragment 1 | x-ray diffraction | A | — | — |
| 3ZM4 | Crystal structure of MEK1 in complex with fragment 1 | x-ray diffraction | A | — | — |
| 4AN2 | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or… | x-ray diffraction | A | — | — |
| 4AN2 | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (gdc-0973), or… | x-ray diffraction | A | — | — |
| 4AN3 | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or… | x-ray diffraction | A | — | — |
| 4AN3 | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (gdc-0973), or… | x-ray diffraction | A | — | — |
| 4AN9 | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or… | x-ray diffraction | A | — | — |
| 4AN9 | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (gdc-0973), or… | x-ray diffraction | A | — | — |
56 records more on the page itself.
Ligands
- MG · Magnesium ion · in 28 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 20 records
- SO4 · Sulfate ion · in 10 records
- LCJ · 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy) imidazo[1,5-a]pyridine-6-carboxamide · in 8 records
- AGS · Phosphothiophosphoric acid-adenylate ester · in 4 records
- CA · Calcium ion · in 3 records
- 3EW · 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide · in 2 records
- A1AHE · N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide · in 2 records
- ADP · Adenosine-5'-diphosphate · in 2 records
- CHU · N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide · in 2 records
- T4N · ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide · in 2 records
- 4BM · N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide · in 1 record
- 4W5 · ethyl 2H-indazole-5-carboxylate · in 1 record
- 80C · 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline · in 1 record
- ACP · Phosphomethylphosphonic acid adenylate ester · in 1 record
- CL · Chloride ion · in 1 record
- E62 · (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione · in 1 record
- EUI · [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl) amino]phenyl]-[3-oxidanyl-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone · in 1 record
- FZC · (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine · in 1 record
- GIK · ~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide · in 1 record
- PO4 · Phosphate ion · in 1 record
- QO7 · 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide · in 1 record
- QOA · N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide · in 1 record
- QOM · Trametinib · in 1 record
- SU5 · 1~{H}-indol-2-yl(pyridin-3-yl)methanone · in 1 record
- T1K · 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol · in 1 record
- T3W · 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one · in 1 record
Experiment against prediction
- 3VVH chain A against the predicted model Q02750: TM-score 0.99, RMSD 0.70 Å
- 3VVH chain A against the predicted model Q02750: TM-score 0.99, RMSD 0.70 Å
- 3ZLY chain A against the predicted model Q02750: TM-score 0.99, RMSD 0.80 Å
- 3ZLY chain A against the predicted model Q02750: TM-score 0.99, RMSD 0.80 Å
- 3EQC chain A against the predicted model Q02750: TM-score 0.99, RMSD 0.95 Å
- 3EQC chain A against the predicted model Q02750: TM-score 0.99, RMSD 0.95 Å
- 2P55 chain A against the predicted model Q02750: TM-score 0.98, RMSD 0.91 Å
- 2P55 chain A against the predicted model Q02750: TM-score 0.98, RMSD 0.91 Å
- 5EYM chain A against the predicted model Q02750: TM-score 0.98, RMSD 0.80 Å
- 3ZM4 chain A against the predicted model Q02750: TM-score 0.98, RMSD 0.85 Å
Elsewhere
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