PDB: 263 resultsInfo pagesStatus searchChemie searchBIRD

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4QP3	Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.599 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP7	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.249 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP4	Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QPA	Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP6	Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
6DMG	A multiconformer ligand model of EK6 bound to ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. Deposit date: 2018-06-05 Release date: 2018-12-19 Last modified: 2019-04-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
4FV6	Crystal Structure of the ERK2 complexed with E57 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the ERK2 complexed with E57 TO BE PUBLISHED
4FUX	Crystal Structure of the ERK2 complexed with E75 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with E75 TO BE PUBLISHED
4FV7	Crystal Structure of the ERK2 complexed with E94 Descriptor: 1,2-ETHANEDIOL, 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile, GLYCEROL, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of the ERK2 complexed with E94 TO BE PUBLISHED
4G6O	Crystal Structure of the ERK2 Descriptor: 1,2-ETHANEDIOL, 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-07-19 Release date: 2012-09-19 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with E28 to be published
4FUY	Crystal Structure of the ERK2 complexed with EK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the ERK2 complexed with EK2 TO BE PUBLISHED
4FV9	Crystal Structure of the ERK2 complexed with E71 Descriptor: 1,2-ETHANEDIOL, 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Crystal Structure of the ERK2 complexed with E71 TO BE PUBLISHED
4FV1	Crystal Structure of the ERK2 complexed with EK4 Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Crystal Structure of the ERK2 complexed with EK4 TO BE PUBLISHED
4G6N	Crystal Structure of the ERK2 Descriptor: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-07-19 Release date: 2012-09-19 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the ERK2 complexed with EK0 to be published
8AO6	electrophilic inhibitor (7) of ERK2 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.811 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO8	Specific covalent inhibitor(9) of ERK2 Descriptor: 1,2-ETHANEDIOL, 1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one, Mitogen-activated protein kinase 1, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2023-05-24 Method: X-RAY DIFFRACTION (1.697 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO5	Specific covalent inhibitor (6) of ERK2 Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.595 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOB	Specific covalent inhibitor(12) of ERK2 Descriptor: DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.623 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOF	Specific covalent inhibitor(16) of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.615 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO4	Specific covalent inhibitor (5) of ERK2 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.825 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO3	Specific covalent inhibitor of ERK2 Descriptor: 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.778 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AO9	Specific covalent inhibitor(10) of ERK2 Descriptor: 1,2-ETHANEDIOL, 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one, DI(HYDROXYETHYL)ETHER, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.624 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOJ	Specific covalent inhibitor of ERK2 Descriptor: 1,2-ETHANEDIOL, 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one, DIMETHYL SULFOXIDE, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.12 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOC	Specific covalent inhibitor of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.62 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
8AOG	Non-specific covalent inhibitor(17) of ERK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.603 Å) Cite: X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022

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