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

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2MBS	NMR solution structure of oxidized KpDsbA 分子名称: Thiol:disulfide interchange protein 著者 Kurth, F, Rimmer, K, Premkumar, L, Mohanty, B, Duprez, W, Halili, M.A, Shouldice, S.R, Heras, B, Fairlie, D.P, Scanlon, M.J, Martin, J.L. 登録日 2013-08-03 公開日 2013-12-11 最終更新日 2024-11-27 実験手法 SOLUTION NMR 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
2NDO	Structure of EcDsbA-sulfonamide1 complex 分子名称: 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA 著者 Williams, M.L, Doak, B.C, Vazirani, M, Ilyichova, O, Wang, G, Bermel, W, Simpson, J.S, Chalmers, D.K, King, G.F, Mobli, M, Scanlon, M.J. 登録日 2016-08-22 公開日 2017-02-08 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data. J.Biomol.Nmr, 66, 2016
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
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
7LUJ	Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide 分子名称: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, 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 2024-11-20 実験手法 X-RAY DIFFRACTION (2.31 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
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
8D12	Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-4-amine 分子名称: 1-methyl-1H-pyrazol-4-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-26 公開日 2022-12-07 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.6 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
8CZM	Crystal Structure of EcDsbA in a complex with 4-bromo-1H-pyrazole 分子名称: 4-bromo-1H-pyrazole, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-25 公開日 2022-12-07 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.8 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
8CXD	Crystal Structure of EcDsbA in a complex with phenylmethanol 分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, phenylmethanol 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-20 公開日 2022-12-07 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.8 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
8CZN	Crystal Structure of EcDsbA in a complex with 1H-pyrrole-3-carboxylic acid 分子名称: 1H-pyrrole-3-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-25 公開日 2022-12-07 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.7 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
8CXE	Crystal Structure of EcDsbA in a complex with 1H-imidazole 分子名称: IMIDAZOLE, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-20 公開日 2022-12-07 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.47 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
8D10	Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine 分子名称: 1-(1-methyl-1H-pyrazol-5-yl)methanamine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-26 公開日 2022-12-07 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.6 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
8D11	Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-5-amine 分子名称: 1-methyl-1H-pyrazol-5-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. 登録日 2022-05-26 公開日 2022-12-07 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.85 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
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
4ZL7	Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I 分子名称: HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA 著者 McMahon, R.M, Martin, J.L. 登録日 2015-05-01 公開日 2015-12-09 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.922 Å) 主引用文献 Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ZL8	Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal II 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Thiol:disulfide interchange protein DsbA 著者 McMahoh, R.M, Martin, J.L. 登録日 2015-05-01 公開日 2015-12-09 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.395 Å) 主引用文献 Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ZL9	Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal III 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TETRAETHYLENE GLYCOL, ... 著者 McMahon, R.M, Martin, J.L. 登録日 2015-05-01 公開日 2015-12-09 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4ZIJ	Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid 分子名称: 1,2-ETHANEDIOL, 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA 著者 Vazirani, M, Ilyichova, O.V, Scanlon, M.J. 登録日 2015-04-28 公開日 2016-05-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data. J.Biomol.Nmr, 66, 2016
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 2024-11-13 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
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 2024-11-06 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 2024-11-20 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
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 2024-11-20 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
1A2J	OXIDIZED DSBA CRYSTAL FORM II 分子名称: DISULFIDE BOND FORMATION PROTEIN 著者 Martin, J.L, Guddat, L.W. 登録日 1998-01-06 公開日 1998-09-16 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization. Structure, 6, 1998

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