PDB: 974 件ウェブページステータス検索Chemie searchBIRD

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8AO5	Specific covalent inhibitor (6) of ERK2 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.595 Å) 主引用文献 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 分子名称: DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.623 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.615 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.825 Å) 主引用文献 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 分子名称: 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, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 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 分子名称: 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.778 Å) 主引用文献 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
4U0A	Hexameric HIV-1 CA in complex with CPSF6 peptide, P6 crystal form 分子名称: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6 著者 Price, A.J, Jacques, D.A, James, L.C. 登録日 2014-07-11 公開日 2014-11-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
4U0E	Hexameric HIV-1 CA in complex with PF3450074 分子名称: CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE 著者 Price, A.J, Jacques, D.A, James, L.C. 登録日 2014-07-11 公開日 2014-11-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.043 Å) 主引用文献 Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
7ZUD	Crystal structure of HIV-1 capsid IP6-CPSF6 complex 分子名称: Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, INOSITOL HEXAKISPHOSPHATE 著者 Nicastro, G, Taylor, I.A. 登録日 2022-05-12 公開日 2022-07-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.93 Å) 主引用文献 CP-MAS and Solution NMR Studies of Allosteric Communication in CA-assemblies of HIV-1. J.Mol.Biol., 434, 2022
8AO9	Specific covalent inhibitor(10) of ERK2 分子名称: 1,2-ETHANEDIOL, 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one, DI(HYDROXYETHYL)ETHER, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.624 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 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
8AOA	Covalent and non-covalent inhibitor of ERK2 (two sites) 分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.602 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.796 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2022-10-05 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Cleasby, A. 登録日 2022-08-08 公開日 2022-09-28 最終更新日 2023-05-24 実験手法 X-RAY DIFFRACTION (1.687 Å) 主引用文献 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
4UED	Complex of human eIF4E with the 4E binding protein 4E-BP1 分子名称: EUKARYOTIC TRANSLATION FACTOR 4E-BINDING PROTEIN 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E 著者 Peter, D, Weichenrieder, O. 登録日 2014-12-16 公開日 2015-02-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E. Mol.Cell, 57, 2015
8PSR	ERK2 covalently bound to SynthRevD-12-opt artificial peptide 分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Sok, P, Poti, A, Gogl, G, Remenyi, A. 登録日 2023-07-13 公開日 2024-07-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
8PSY	ERK2 covelently bound to RU68 cyclohexenone based inhibitor 分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate 著者 Sok, P, Poti, A, Remenyi, A, Gogl, G. 登録日 2023-07-13 公開日 2024-07-24 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
8PT5	ERK2 covelently bound to RU187 cyclohexenone based inhibitor 分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Sok, P, Poti, A, Remenyi, A. 登録日 2023-07-13 公開日 2024-07-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
8PST	ERK2 covelently bound to RU60 cyclohexenone based inhibitor 分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate 著者 Sok, P, Poti, A, Remenyi, A, Gogl, G. 登録日 2023-07-13 公開日 2024-07-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
8PSW	ERK2 covalently bound to RU67 cyclohexenone based inhibitor 分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate 著者 Sok, P, Poti, A, Remenyi, A, Gogl, G. 登録日 2023-07-13 公開日 2024-07-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published

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