PDB: 280 件ウェブページステータス検索Chemie searchBIRD

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6PLI	Crystal Structure of EcDsbA in a complex with purified oxadiazole 11 分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-07-01 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6PC9	Crystal Structure of EcDsbA in a complex with purified methylpiperazinone 6 分子名称: 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-17 公開日 2020-05-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
6POH	Crystal Structure of EcDsbA in complex alkyl ether 21 分子名称: (6-butoxy-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2019-07-03 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6PIQ	Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9) 分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-26 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6PG2	Crystal Structure of EcDsbA in a complex with unpurified reaction product H5 (morpholine 8) 分子名称: 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-23 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6PBI	Crystal Structure of EcDsbA in a complex with purified morpholine 8 分子名称: 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-13 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6PML	Crystal Structure of EcDsbA in complex benzyl ether 23 分子名称: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA, ... 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2019-07-02 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6PGJ	Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic acid 7) 分子名称: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, COPPER (II) ION, ... 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-24 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6PG1	Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6) 分子名称: 1,2-ETHANEDIOL, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, ... 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-23 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6PDH	Crystal Structure of EcDsbA in a complex with purified pyrazole 9 分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-19 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6PMF	Crystal Structure of EcDsbA in complex with aniline 15 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(phenylamino)-1-benzofuran-3-yl]acetic acid 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2019-07-01 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6PD7	Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 分子名称: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-18 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
8DG1	Crystal Structure of EcDsbA in a complex with DMSO 分子名称: COPPER (II) ION, DIMETHYL SULFOXIDE, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-06-23 公開日 2022-12-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem, 14, 2023
8DG2	Crystal Structure of EcDsbA in a complex with DMSO 分子名称: COPPER (II) ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-06-23 公開日 2022-12-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem, 14, 2023
8DG0	Crystal Structure of EcDsbA in a complex with Urea 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, UREA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-06-23 公開日 2022-12-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem, 14, 2023
6POI	Crystal Structure of EcDsbA in complex phenyl ether 25 分子名称: (6-phenoxy-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2019-07-04 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6POQ	Crystal Structure of EcDsbA in complex with anisidine 16 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2019-07-04 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
8DN0	E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide 分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, ... 著者 Wang, G, Heras, B. 登録日 2022-07-10 公開日 2023-06-21 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide To Be Published
6PVZ	E.coli DsbA in complex with benzofuran compound 28 ((6-benzyl-1-benzofuran-3-yl)acetic acid) 分子名称: (6-benzyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2019-07-21 公開日 2019-12-25 最終更新日 2020-10-07 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6PVY	E.coli DsbA in complex with benzofuran compound 26 ([6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid) 分子名称: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Wang, G, Heras, B. 登録日 2019-07-21 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
8EQO	Crystal structure of E.coli DsbA mutant K58A 分子名称: COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2022-10-08 公開日 2023-02-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
8EQQ	Crystal structure of E.coli DsbA mutant E37A 分子名称: CITRATE ANION, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2022-10-09 公開日 2023-02-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
8EOC	Crystal structure of E.coli DsbA mutant E24A/K58A 分子名称: COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2022-10-03 公開日 2023-02-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
8EQR	Crystal structure of E.coli DsbA mutant E24A 分子名称: DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2022-10-09 公開日 2023-02-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
8EQP	Crystal structure of E.coli DsbA mutant E24A/E37A/K58A 分子名称: CITRATE ANION, GLYCEROL, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2022-10-09 公開日 2023-02-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023

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