UniProt P63086
Mitogen-activated protein kinase 1 (P63086)
Mitogen-activated protein kinase 1 (UniProt P63086), EC 2.7.11.24: 99 experimental structures and 1 predicted model on GenesisL1, 23 ligands bound, 14 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P63086
- Protein
- Mitogen-activated protein kinase 1
- EC
- 2.7.11.24
- Experimental structures
- 99
- Predicted models
- 1
- Ligands
- 23
- Pockets
- 14 · 3 records with a druggable one
Structures
100 records of P63086 in the MolNFT archive: 99 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1GOL | Coordinates of rat MAP kinase ERK2 with an arginine mutation at position 52 | x-ray diffraction | A | — | — |
| 1GOL | Coordinates of rat MAP kinase ERK2 with an arginine mutation at position 52 | x-ray diffraction | A | — | — |
| 2ERK | Phosphorylated MAP kinase ERK2 | x-ray diffraction | A | — | — |
| 2ERK | Phosphorylated MAP kinase ERK2 | x-ray diffraction | A | — | — |
| 2FYS | Crystal structure of Erk2 complex with KIM peptide derived from MKP3 | x-ray diffraction | B, A | — | — |
| 2FYS | Crystal structure of ERK2 complex with kim peptide derived from MKP3 | x-ray diffraction | B, A | — | — |
| 2GPH | Docking motif interactions in the MAP kinase ERK2 | x-ray diffraction | A | — | — |
| 2GPH | Docking motif interactions in the MAP kinase ERK2 | x-ray diffraction | A | — | — |
| 2Z7L | Unphosphorylated Mitogen Activated Protein Kinase ERK2 in Complex with… | x-ray diffraction | A | — | — |
| 2Z7L | Unphosphorylated mitogen activated protein kinase ERK2 in complex with… | x-ray diffraction | A | — | — |
| 3C9W | Crystal Structure of ERK-2 with hypothemycin covalently bound | x-ray diffraction | A, B | — | — |
| 3C9W | Crystal structure of ERK-2 with hypothemycin covalently bound | x-ray diffraction | A, B | — | — |
| 3ERK | The complex structure of the MAP kinase ERK2/SB220025 | x-ray diffraction | A | — | — |
| 3ERK | The complex structure of the MAP kinase ERK2/SB220025 | x-ray diffraction | A | — | — |
| 3O71 | Crystal structure of ERK2/DCC peptide complex | x-ray diffraction | A | — | — |
| 3O71 | Crystal structure of ERK2/DCC peptide complex | x-ray diffraction | A | — | — |
| 3QYW | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 3QYW | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 3QYZ | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 3QYZ | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 3R63 | Structure of ERK2 (SPE) mutant (S246E) | x-ray diffraction | A | — | — |
| 3R63 | Structure of ERK2 (spe) mutant (S246E) | x-ray diffraction | A | — | — |
| 3ZU7 | Crystal structure of a designed selected Ankyrin Repeat protein in complex with the MAP kinase ERK2 | x-ray diffraction | A | — | — |
| 3ZU7 | Crystal structure of a designed selected ankyrin repeat protein in complex with the MAP kinase ERK2 | x-ray diffraction | A | — | — |
| 3ZUV | Crystal structure of a designed selected Ankyrin Repeat protein in complex with the phosphorylated… | x-ray diffraction | A, C | — | — |
| 3ZUV | Crystal structure of a designed selected ankyrin repeat protein in complex with the phosphorylated… | x-ray diffraction | A, C | — | — |
| 4ERK | The complex structure of the MAP kinase ERK2/OLOMOUCINE | x-ray diffraction | A | — | — |
| 4ERK | The complex structure of the MAP kinase ERK2/OLOMOUCINE | x-ray diffraction | A | — | — |
| 4GSB | Monoclinic crystal form of the apo-ERK2 | x-ray diffraction | A | — | — |
| 4GSB | Monoclinic crystal form of the apo-ERK2 | x-ray diffraction | A | — | — |
| 4GT3 | ATP-bound form of the ERK2 kinase | x-ray diffraction | A | — | — |
| 4GT3 | ATP-bound form of the ERK2 kinase | x-ray diffraction | A | — | — |
| 4GVA | ADP-bound form of the ERK2 kinase | x-ray diffraction | A | — | — |
| 4GVA | ADP-bound form of the ERK2 kinase | x-ray diffraction | A | — | — |
| 4I5H | Crystal Structure of a Double Mutant Rat Erk2 Complexed With a Type II Quinazoline Inhibitor | x-ray diffraction | A | — | — |
| 4I5H | Crystal structure of a double mutant rat ERK2 complexed with a type II quinazoline inhibitor | x-ray diffraction | A | — | — |
| 4N4S | A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor | x-ray diffraction | A, B | — | — |
| 4N4S | A double mutant rat ERK2 in complex with a PYRAZOLO[3,4-D]PYRIMIDINE inhibitor | x-ray diffraction | A, B | — | — |
| 4QYY | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive… | x-ray diffraction | A | — | — |
| 4QYY | Discovery of novel, dual mechanism ERK inhibitors by affinity selection screening of an inactive… | x-ray diffraction | A | — | — |
| 4S2Z | ERK2 Intrinsically active mutant R65S | x-ray diffraction | A | — | — |
| 4S2Z | ERK2 intrinsically active mutant R65S | x-ray diffraction | A | — | — |
| 4S30 | ERK2 intrinsically active mutant (I84A) | x-ray diffraction | A | — | — |
| 4S30 | ERK2 intrinsically active mutant (I84A) | x-ray diffraction | A | — | — |
| 4S31 | Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A | x-ray diffraction | A | — | — |
| 4S31 | Crystal structure of mitogen-activated protein kinase 1 WTERK2 at 1.45A | x-ray diffraction | A | — | — |
| 4S32 | Crystal structure of ERK2 AMP-PNP complex | x-ray diffraction | A | — | — |
| 4S32 | Crystal structure of ERK2 AMP-pnp complex | x-ray diffraction | A | — | — |
| 4S33 | ERK2 R65S mutant complexed with AMP-PNP | x-ray diffraction | A | — | — |
| 4S33 | ERK2 R65S mutant complexed with AMP-pnp | x-ray diffraction | A | — | — |
| 4S34 | ERK2 (I84A) in complex with AMP-PNP | x-ray diffraction | A | — | — |
| 4S34 | ERK2 (I84A) in complex with AMP-pnp | x-ray diffraction | A | — | — |
| 4XNE | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | TT4, SO4 | 4 (best 0.66) |
| 4XNE | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 4XOY | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 4XOY | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 4XOZ | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 4XOZ | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 4XP0 | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
| 4XP0 | Crystal structure of ERK2 in complex with an inhibitor | x-ray diffraction | A | — | — |
40 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 24 records
- 38Z · (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide · in 2 records
- 390 · 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide · in 2 records
- DTW · [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium · in 2 records
- E9W · azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium · in 2 records
- KJ4 · N-{3-[(2Z,4S)-1-(2-{[2-(2-amino-1H-imidazol-1-yl) ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine · in 2 records
- KJ7 · (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine · in 2 records
- 6S9 · 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea · in 1 record
- 81Y · 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl) oxy]-1H-indazole · in 1 record
- A3N · 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine · in 1 record
- AOC · 5'-O-prop-2-yn-1-yladenosine · in 1 record
- DF8 · (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol · in 1 record
- DJ2 · (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol · in 1 record
- DKW · (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide · in 1 record
- DQ2 · [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium · in 1 record
- DU8 · 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid · in 1 record
- DVZ · [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium · in 1 record
- E2K · 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid · in 1 record
- E3K · Azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino) ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium · in 1 record
- F8V · (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl) phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide · in 1 record
- G67 · (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide · in 1 record
- TT4 · 1-phenyl-1H-1,2,4-triazole-3,5-diamine · in 1 record
- ZAS · 5'-azido-5'-deoxyadenosine · in 1 record
Experiment against prediction
- 6CPW chain A against the predicted model P63086: TM-score 0.99, RMSD 0.49 Å
- 6DCG chain A against the predicted model P63086: TM-score 0.99, RMSD 0.52 Å
- 4QYY chain A against the predicted model P63086: TM-score 0.99, RMSD 0.58 Å
- 4QYY chain A against the predicted model P63086: TM-score 0.99, RMSD 0.58 Å
- 5HD4 chain A against the predicted model P63086: TM-score 0.99, RMSD 0.75 Å
- 5HD4 chain A against the predicted model P63086: TM-score 0.99, RMSD 0.75 Å
- 4XRL chain A against the predicted model P63086: TM-score 0.99, RMSD 0.67 Å
- 6FXV chain A against the predicted model P63086: TM-score 0.99, RMSD 0.66 Å
- 6FXV chain A against the predicted model P63086: TM-score 0.99, RMSD 0.66 Å
- 4S33 chain A against the predicted model P63086: TM-score 0.99, RMSD 0.68 Å
Elsewhere
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