PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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8E0G	Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... 著者 Munro, T.A. 登録日 2022-08-09 公開日 2023-10-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72. Bmc Biol., 21, 2023
7YRF	Cryo-EM structure of compact CA16 empty particle in complex with a neutralizing antibody 8C4 分子名称: Capsid protein VP3, Genome polyprotein, Light chain of chain, ... 著者 Cong, Y, Liu, C.X. 登録日 2022-08-09 公開日 2022-09-14 最終更新日 2023-01-11 実験手法 ELECTRON MICROSCOPY (2.91 Å) 主引用文献 Molecular mechanism of antibody neutralization of coxsackievirus A16. Nat Commun, 13, 2022
8AO8	Specific covalent inhibitor(9) of ERK2 分子名称: 1,2-ETHANEDIOL, 1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-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 2023-05-24 実験手法 X-RAY DIFFRACTION (1.697 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
8AO6	electrophilic inhibitor (7) 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 2022-10-05 実験手法 X-RAY DIFFRACTION (1.811 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
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
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 2022-10-05 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
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
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
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
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
8AON	Oxidoreductase fragment of human QSOX1 in complex with a Fab fragment of a humanized anti-QSOX1 antibody 分子名称: GLYCEROL, Heavy chain, Light chain, ... 著者 Khmelnitsky, L, Fass, D. 登録日 2022-08-08 公開日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Reliable energy-based antibody humanization and stabilization To Be Published
8DZT	Crystal structure of human Sar1aH79G mutant 分子名称: CALCIUM ION, GTP-binding protein SAR1a, GUANOSINE-5',3'-TETRAPHOSPHATE, ... 著者 Huang, Q. 登録日 2022-08-08 公開日 2022-11-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins, 91, 2023
8E0A	Crystal structure of human Sar1b 分子名称: GTP-binding protein SAR1b, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION 著者 Huang, Q. 登録日 2022-08-08 公開日 2022-11-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.797 Å) 主引用文献 The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins, 91, 2023
8E0D	Crystal structure of human Sar1bE140D 分子名称: GTP-binding protein SAR1b, GUANOSINE-5',3'-TETRAPHOSPHATE 著者 Huang, Q. 登録日 2022-08-08 公開日 2022-11-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.981 Å) 主引用文献 The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins, 91, 2023
8DZO	Crystal structure of human Sar1T39N mutant 分子名称: CALCIUM ION, GTP-binding protein SAR1a, GUANOSINE-5',3'-TETRAPHOSPHATE, ... 著者 Huang, Q. 登録日 2022-08-08 公開日 2022-11-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins, 91, 2023

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