PDB: 263 resultsInfo pagesStatus searchChemie searchBIRD

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8AOA	Covalent and non-covalent inhibitor of ERK2 (two sites) Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, 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 (1.62 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
8AOI	Specific covalent inhibitor(19) of ERK2 Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-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: 2022-10-05 Method: X-RAY DIFFRACTION (1.602 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
8AO2	Specific covalent inhibitor (3) 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 (1.796 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
8AOH	Specific covalent inhibitor(18) of ERK2 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Cleasby, A. Deposit date: 2022-08-08 Release date: 2022-09-28 Last modified: 2022-10-05 Method: X-RAY DIFFRACTION (1.6 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
8AOD	Specific covalent inhibitor(14) of ERK2 Descriptor: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... 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
8AO7	Specific covalent inhibitor (8) 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 (1.61 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
8AOE	Specific covalent inhibitor(15) 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: 2023-05-24 Method: X-RAY DIFFRACTION (1.687 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
4FV4	Crystal Structure of the ERK2 complexed with EK7 Descriptor: 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile, GLYCEROL, 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: 2014-09-24 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the ERK2 complexed with EK7 TO BE PUBLISHED
4H3P	Crystal structure of human ERK2 complexed with a MAPK docking peptide Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 Authors: Gogl, G, Toeroe, I, Remenyi, A. Deposit date: 2012-09-14 Release date: 2013-02-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase Acta Crystallogr.,Sect.D, 69, 2013
4H3Q	Crystal structure of human ERK2 complexed with a MAPK docking peptide Descriptor: Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Gogl, G, Toeroe, I, Remenyi, A. Deposit date: 2012-09-14 Release date: 2013-02-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase Acta Crystallogr.,Sect.D, 69, 2013
4FV2	Crystal Structure of the ERK2 complexed with EK5 Descriptor: 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, 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 (2 Å) Cite: Crystal Structure of the ERK2 complexed with EK5 TO BE PUBLISHED
6G97	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9H	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G93	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9J	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4IZA	Structure of Dually Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain Descriptor: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1 Authors: Mace, P.D, Robinson, H, Riedl, S.J. Deposit date: 2013-01-29 Release date: 2013-04-10 Last modified: 2013-04-24 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK. Nat Commun, 4, 2013
4FV5	Crystal Structure of the ERK2 complexed with EK9 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-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: 2014-09-24 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal Structure of the ERK2 complexed with EK9 TO BE PUBLISHED
4FV0	Crystal Structure of the ERK2 complexed with EK3 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 (2.1 Å) Cite: Crystal Structure of the ERK2 complexed with EK3 TO BE PUBLISHED
4FV8	Crystal Structure of the ERK2 complexed with E63 Descriptor: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, 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: 2014-09-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the ERK2 complexed with E63 TO BE PUBLISHED
6G8X	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 4-chloranyl-1~{H}-indazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G92	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9A	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4IZ5	Structure of the complex between ERK2 phosphomimetic mutant and PEA-15 Descriptor: ADENOSINE-5'-DIPHOSPHATE, Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, ... Authors: Mace, P.D, Robinson, H, Riedl, S.J. Deposit date: 2013-01-29 Release date: 2013-04-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3.19 Å) Cite: Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK. Nat Commun, 4, 2013
4IZ7	Structure of Non-Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain Descriptor: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, SODIUM ION Authors: Mace, P.D, Robinson, H, Riedl, S.J. Deposit date: 2013-01-29 Release date: 2013-04-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK. Nat Commun, 4, 2013
6GDQ	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

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