PDB: 284 件ウェブページステータス検索Chemie searchBIRD

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2B6M	Structure of the DsbA mutant (P31A-C33A) 分子名称: DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein dsbA 著者 Vives, C, Royant, A, Serre, L. 登録日 2005-10-03 公開日 2006-10-17 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure of the DsbA mutant To be Published
2B3S	structure of the DSBA mutant (P31G-C33A) 分子名称: Thiol:disulfide interchange protein dsbA 著者 Vives, C, Royant, A, Serre, L. 登録日 2005-09-21 公開日 2006-09-05 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structure of the DSBA mutant (P31G-C33A) To be Published
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
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
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 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
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
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
3DKS	DsbA substrate complex 分子名称: Thiol:disulfide interchange protein dsbA, siga peptide 著者 Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J. 登録日 2008-06-25 公開日 2009-05-12 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes J.Biol.Chem., 284, 2009
3DVW	Crystal structure of reduced DsbA1 from Neisseria meningitidis 分子名称: Thiol:disulfide interchange protein DsbA 著者 Lafaye, C, Serre, L. 登録日 2008-07-21 公開日 2009-08-04 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 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 2011-07-13 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
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 2011-07-13 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
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 2017-11-01 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
7L7C	Crystal Structure of EcDsbA in a complex with 2-(6-(3-Methoxyphenyl)benzofuran-3-yl)acetic acid 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2020-12-28 公開日 2021-08-11 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.8 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
7LHP	Crystal Structure of EcDsbA in a complex with methyl 2-(6-bromo-2-phenylbenzofuran-3-yl)acetate 分子名称: (6-bromo-2-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 2021-01-26 公開日 2021-08-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.9 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
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 2024-10-09 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
7LUI	Crystal structure of Vibrio cholerae DsbA in complex with bile salt taurocholate 分子名称: GLYCEROL, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2021-02-22 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials. Chemmedchem, 17, 2022
7LSM	Crystal structure of E.coli DsbA in complex with bile salt taurocholate 分子名称: DI(HYDROXYETHYL)ETHER, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA 著者 Wang, G, Heras, B. 登録日 2021-02-18 公開日 2021-12-29 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.786 Å) 主引用文献 Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials. Chemmedchem, 17, 2022
7LUH	Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide 分子名称: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein 著者 Petit, G.A, Martin, J.L, McMahon, R.M. 登録日 2021-02-22 公開日 2022-01-05 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA. Acta Crystallogr D Struct Biol, 78, 2022

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