PDB: 285 件ウェブページステータス検索Chemie searchBIRD

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4MCU	Crystal structure of disulfide oxidoreductase from Klebsiella pneumoniae in reduced state 分子名称: Thiol:disulfide interchange protein 著者 Kurth, F, Premkumar, L, Martin, J.L. 登録日 2013-08-21 公開日 2013-11-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Comparative Sequence, Structure and Redox Analyses of Klebsiella pneumoniae DsbA Show That Anti-Virulence Target DsbA Enzymes Fall into Distinct Classes. Plos One, 8, 2013
8U1Y	E.coli DsbA in complex with N-(4-(thiophen-3-yl)benzyl)cyclohexanamine 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine 著者 Wang, G, Heras, B. 登録日 2023-09-04 公開日 2024-09-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium To Be Published
8UBQ	EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and 2-benzyl-4-phenylthiazole-5-carboxylic acid 分子名称: 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, ... 著者 Wang, G, Heras, B. 登録日 2023-09-24 公開日 2024-09-25 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium To Be Published
8U59	EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and N-(4-(thiophen-3-yl)benzyl)cyclohexanamine 分子名称: COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, Thiol:disulfide interchange protein DsbA, ... 著者 Wang, G, Heras, B. 登録日 2023-09-12 公開日 2024-09-25 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium To Be Published
8UF9	EcDsbA in complex with 2-benzyl-4-phenylthiazole-5-carboxylic acid 分子名称: 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2023-10-04 公開日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium To Be Published
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 2024-11-20 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
4OCF	Crystal structure of the disulfide oxidoreductase DsbA (S30XXC33) active site mutant from Proteus mirabilis 分子名称: THIOCYANATE ION, Thiol:disulfide interchange protein 著者 Kurth, F, Martin, J.L. 登録日 2014-01-09 公開日 2014-05-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.979 Å) 主引用文献 Crystal Structure of the Dithiol Oxidase DsbA Enzyme from Proteus Mirabilis Bound Non-covalently to an Active Site Peptide Ligand. J.Biol.Chem., 289, 2014
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 2024-11-20 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 2024-10-23 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 2024-11-06 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
4OCE	Crystal structure of the disulfide oxidoreductase DsbA from Proteus mirabilis 分子名称: MALONATE ION, Thiol:disulfide interchange protein 著者 Kurth, F, Martin, J.L. 登録日 2014-01-09 公開日 2014-05-28 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.768 Å) 主引用文献 Crystal Structure of the Dithiol Oxidase DsbA Enzyme from Proteus Mirabilis Bound Non-covalently to an Active Site Peptide Ligand. J.Biol.Chem., 289, 2014
4OD7	Complex structure of Proteus mirablis DsbA (C30S) with a non-covalently bound peptide PWATCDS 分子名称: (ACE)PWATCDS(NH2) Peptide, THIOCYANATE ION, Thiol:disulfide interchange protein 著者 Kurth, F, Premkumar, L, Martin, J.L. 登録日 2014-01-10 公開日 2014-05-28 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.597 Å) 主引用文献 Crystal Structure of the Dithiol Oxidase DsbA Enzyme from Proteus Mirabilis Bound Non-covalently to an Active Site Peptide Ligand. J.Biol.Chem., 289, 2014
7S1C	Crystal structure of E.coli DsbA in complex with compound MIPS-0001897 (compound 1) 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine 著者 Heras, B, Scanlon, M.J, Martin, J.L, Sharma, P. 登録日 2021-09-02 公開日 2023-02-08 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.949 Å) 主引用文献 Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
7S1L	Crystal structure of E.coli DsbA in complex with compound MIPS-0001896 (compound 72) 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate 著者 Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. 登録日 2021-09-02 公開日 2023-02-08 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.623 Å) 主引用文献 Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
7S1D	Crystal structure of E.coli DsbA in complex with compound MIPS-0001877 (compound 39) 分子名称: 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. 登録日 2021-09-02 公開日 2023-02-08 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
7S1F	Crystal structure of E.coli DsbA in complex with compound MIPS-0001886 (compound 38) 分子名称: 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one, COPPER (II) ION, GLYCEROL, ... 著者 Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. 登録日 2021-09-02 公開日 2023-02-08 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
7TTV	E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid 分子名称: 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2022-02-02 公開日 2023-04-12 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes. Sci Rep, 12, 2022
3H93	Crystal Structure of Pseudomonas aeruginosa DsbA 分子名称: GLYCEROL, Thiol:disulfide interchange protein dsbA 著者 Shouldice, S.R. 登録日 2009-04-29 公開日 2009-12-08 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.501 Å) 主引用文献 Characterization of the DsbA Oxidative Folding Catalyst from Pseudomonas aeruginosa Reveals a Highly Oxidizing Protein that Binds Small Molecules. Antioxid Redox Signal, 12, 2010
3HZ8	Crystal structure of the oxidized T176V DsbA1 mutant 分子名称: Thiol:disulfide interchange protein DsbA 著者 Lafaye, C, Iwema, T, Carpentier, P, Jullian-Binard, C, Serre, L. 登録日 2009-06-23 公開日 2009-08-25 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Biochemical and structural study of the homologues of the thiol-disulfide oxidoreductase DsbA in Neisseria meningitidis. J.Mol.Biol., 392, 2009
3FZ5	Crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from Rhodobacter sphaeroides 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLUTATHIONE, ... 著者 Chang, C, Hatzos, C, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2009-01-23 公開日 2009-02-03 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from Rhodobacter sphaeroides To be Published
2IME	2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida 分子名称: (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID, (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID, 2-hydroxychromene-2-carboxylate isomerase, ... 著者 Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N. 登録日 2006-10-04 公開日 2007-06-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 2-Hydroxychromene-2-carboxylic Acid Isomerase: A Kappa Class Glutathione Transferase from Pseudomonas putida Biochemistry, 46, 2007
2IJY	NMR structure ensemble for the reduced DsbA disulphide oxidoreductase from Vibrio Cholerae 分子名称: Thiol:disulfide interchange protein dsbA 著者 Horne, J.H, Velkov, T, Scanlon, M.J. 登録日 2006-10-02 公開日 2007-07-17 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Probing the Flexibility of the DsbA Oxidoreductase from Vibrio cholerae-a (15)N - (1)H Heteronuclear NMR Relaxation Analysis of Oxidized and Reduced Forms of DsbA. J.Mol.Biol., 371, 2007
3GL5	Crystal structure of probable DsbA oxidoreductase SCO1869 from Streptomyces coelicolor 分子名称: ACETATE ION, Putative DsbA oxidoreductase SCO1869, SODIUM ION 著者 Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2009-03-11 公開日 2009-03-31 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of probable DsbA oxidoreductase SCO1869 from Streptomyces coelicolor To be Published
2MBT	NMR study of PaDsbA 分子名称: Thiol:disulfide interchange protein DsbA 著者 Rimmer, K, Mohanty, B, Scanlon, M.J. 登録日 2013-08-03 公開日 2014-11-12 最終更新日 2024-11-20 実験手法 SOLUTION NMR 主引用文献 Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
3GYK	The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3 分子名称: 1,2-ETHANEDIOL, 27kDa outer membrane protein, SULFATE ION 著者 Fan, Y, Marshall, N, Keigher, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2009-04-03 公開日 2009-06-09 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3 To be Published

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