6BQX
 
 | | Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine | | 分子名称: | N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA | | 著者 | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J. | | 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 (1.992 Å) | | 主引用文献 | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
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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
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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
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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
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4WF4
 | | Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, 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 | 2014-09-12 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 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
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4KH3
 | | Structure of a bacterial self-associating protein | | 分子名称: | Antigen 43, MALONATE ION | | 著者 | Heras, B, Gee, C.L, Schembri, M.A, Totsika, M. | | 登録日 | 2013-04-30 | | 公開日 | 2014-01-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The antigen 43 structure reveals a molecular Velcro-like mechanism of autotransporter-mediated bacterial clumping.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6WHD
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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
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7RGV
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4XVW
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5ID4
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5IDR
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3L9U
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3L9V
 | | Crystal Structure of Salmonella enterica serovar Typhimurium SrgA | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, HEXAETHYLENE GLYCOL, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ... | | 著者 | Heras, B, Jarrott, R, Shouldice, S.R, Guncar, G. | | 登録日 | 2010-01-05 | | 公開日 | 2010-03-09 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | | 主引用文献 | Structural and functional characterization of three DsbA paralogues from Salmonella enterica serovar typhimurium
J.Biol.Chem., 285, 2010
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3L9S
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6XSP
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6XSQ
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6XT3
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8EOC
 | | Crystal structure of E.coli DsbA mutant E24A/K58A | | 分子名称: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | | 著者 | Wang, G, Heras, B. | | 登録日 | 2022-10-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
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8EQQ
 | | Crystal structure of E.coli DsbA mutant E37A | | 分子名称: | CITRATE ANION, Thiol:disulfide interchange protein DsbA | | 著者 | Wang, G, Heras, B. | | 登録日 | 2022-10-09 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
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8EQO
 | | Crystal structure of E.coli DsbA mutant K58A | | 分子名称: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | | 著者 | Wang, G, Heras, B. | | 登録日 | 2022-10-08 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
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8EQP
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8EQR
 | | Crystal structure of E.coli DsbA mutant E24A | | 分子名称: | DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA | | 著者 | Wang, G, Heras, B. | | 登録日 | 2022-10-09 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
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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 | 2024-10-09 | | 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
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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
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