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

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6BR4	Crystal structure of Escherichia coli DsbA in complex with {N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine 著者 Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J, Martin, J.L. 登録日 2017-11-29 公開日 2017-12-27 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens. Antioxid. Redox Signal., 29, 2018
6DXN	1.95 Angstrom Resolution Crystal Structure of DsbA Disulfide Interchange Protein from Klebsiella pneumoniae. 分子名称: TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein 著者 Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2018-06-29 公開日 2018-07-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
6WHD	Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid 著者 Wang, G, Heras, B. 登録日 2020-04-08 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.99 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
6XSP	Crystal structure of E.coli DsbA in complex with 2-(2,6-bis(3-methoxyphenyl)benzofuran-3-yl)acetic acid 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid 著者 Wang, G, Heras, B. 登録日 2020-07-15 公開日 2021-08-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds. Bioorg.Med.Chem., 45, 2021
6XSQ	Crystal structure of E.coli DsbA in complex with 2-(6-(3-methoxyphenyl)-2-(4-methoxyphenyl)benzofuran-3-yl)acetic acid 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid 著者 Wang, G, Heras, B. 登録日 2020-07-16 公開日 2021-08-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds. Bioorg.Med.Chem., 45, 2021
6XT3	Crystal structure of E.coli DsbA in complex with 3-(3-(carboxymethyl)-6-(3-methoxyphenyl)benzofuran-2-yl)benzoic acid 分子名称: 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2020-07-17 公開日 2021-08-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds. Bioorg.Med.Chem., 45, 2021
7DK9	Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein 分子名称: DI(HYDROXYETHYL)ETHER, DSBA domain-containing protein, PHOSPHATE ION 著者 Kim, M.-K, Zhang, J, Zhao, L. 登録日 2020-11-23 公開日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein To Be Published
7DKA	Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, C24S mutant protein 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Kim, M.-K, Zhang, J, Zhao, L. 登録日 2020-11-23 公開日 2021-11-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein To Be Published
7L76	Crystal Structure of EcDsbA in a complex with 2-(6-Phenylbenzofuran-3-yl)acetic acid 分子名称: (6-phenyl-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 2020-12-26 公開日 2021-08-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds. Bioorg.Med.Chem., 45, 2021

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