PDB: 280 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 2024-04-03 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure of the DsbA mutant To be Published
4GXZ	Crystal structure of a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium 分子名称: Suppression of copper sensitivity protein 著者 Shepherd, M, Heras, B, King, G.J, Argente, M.P, Achard, M.E.S, King, N.P, McEwan, A.G, Schembri, M.A. 登録日 2012-09-04 公開日 2013-07-17 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Structural and functional characterization of ScsC, a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium Antioxid Redox Signal, 19, 2013
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
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 2023-10-18 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 2023-10-18 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 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
1FVJ	THE 2.06 ANGSTROM STRUCTURE OF THE H32Y MUTANT OF THE DISULFIDE BOND FORMATION PROTEIN (DSBA) 分子名称: DISULFIDE BOND FORMATION PROTEIN 著者 Martin, J.L, Guddat, L.W. 登録日 1996-08-28 公開日 1997-05-15 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability. Protein Sci., 6, 1997
1FVK	THE 1.7 ANGSTROM STRUCTURE OF WILD TYPE DISULFIDE BOND FORMATION PROTEIN (DSBA) 分子名称: DISULFIDE BOND FORMATION PROTEIN 著者 Martin, J.L, Guddat, L.W. 登録日 1996-08-28 公開日 1997-08-20 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability. Protein Sci., 6, 1997
4JRR	Crystal structure of disulfide bond oxidoreductase DsbA1 from Legionella pneumophila 分子名称: GLYCEROL, SULFATE ION, Thiol:disulfide interchange protein DsbA 著者 Shumilin, I.A, Jameson-Lee, M, Cymborowski, M, Domagalski, M.J, Chertihin, O, Kpadeh, Z.Z, Yeh, A.J, Hoffman, P.S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2013-03-21 公開日 2013-04-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Crystal structure of disulfide bond oxidoreductase DsbA1 from Legionella pneumophila To be Published
4K2D	Crystal structure of Burkholderia Pseudomallei DsbA 分子名称: GLYCEROL, Thiol:disulfide interchange protein 著者 McMahon, R.M. 登録日 2013-04-09 公開日 2013-08-14 最終更新日 2014-02-12 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Disarming Burkholderia pseudomallei: Structural and Functional Characterization of a Disulfide Oxidoreductase (DsbA) Required for Virulence In Vivo. Antioxid Redox Signal, 20, 2014
3RPN	Crystal structure of human kappa class glutathione transferase in complex with S-hexylglutathione 分子名称: Glutathione S-transferase kappa 1, S-HEXYLGLUTATHIONE 著者 Wang, B, Peng, Y, Zhang, T, Ding, J. 登録日 2011-04-27 公開日 2011-07-13 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures and kinetic studies of human Kappa class glutathione transferase provide insights into the catalytic mechanism. Biochem.J., 439, 2011
3RPP	Crystal structure of human kappa class glutathione transferase in apo form 分子名称: Glutathione S-transferase kappa 1 著者 Wang, B, Peng, Y, Zhang, T, Ding, J. 登録日 2011-04-27 公開日 2011-07-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structures and kinetic studies of human Kappa class glutathione transferase provide insights into the catalytic mechanism. Biochem.J., 439, 2011
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
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 2023-10-18 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 2023-10-18 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 2023-10-18 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
5XWH	Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH 分子名称: FrnE protein 著者 Bihani, S.C, Panicker, L, Kumar, V. 登録日 2017-06-29 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH To Be Published
5XUR	Crystal Structure of Rv2466c C22S Mutant 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin-like reductase Rv2466c 著者 Zhang, X, Li, H. 登録日 2017-06-25 公開日 2018-03-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.996 Å) 主引用文献 Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis. ACS Infect Dis, 4, 2018
4WET	Crystal structure of E.Coli DsbA in complex with compound 16 分子名称: 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ... 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2014-09-11 公開日 2015-01-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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 2023-06-14 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
4WF5	Crystal structure of E.Coli DsbA soaked with compound 4 分子名称: 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ... 著者 Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. 登録日 2014-09-12 公開日 2015-01-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
4WKW	Crystal Structure of a Conserved Hypothetical Protein from Mycobacterium leprae Determined by Iodide SAD Phasing 分子名称: 1,2-ETHANEDIOL, Uncharacterized protein 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2014-10-03 公開日 2014-10-22 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal Structure of a Conserved Hypothetical Protein from Mycobacterium leprae to be published
4WEY	Crystal structure of E.Coli DsbA in complex with compound 17 分子名称: 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein 著者 Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. 登録日 2014-09-11 公開日 2015-01-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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 2023-06-14 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
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 2023-06-14 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

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