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6BQX
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BU of 6bqx by Molmil
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2024-11-06
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
6PLI
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BU of 6pli by Molmil
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
6PC9
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BU of 6pc9 by Molmil
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2024-10-23
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
6PIQ
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BU of 6piq by Molmil
Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9)
分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-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2019-06-26
公開日2020-07-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 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
6PG2
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BU of 6pg2 by Molmil
Crystal Structure of EcDsbA in a complex with unpurified reaction product H5 (morpholine 8)
分子名称: 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-23
公開日2020-05-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.91 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
6PBI
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BU of 6pbi by Molmil
Crystal Structure of EcDsbA in a complex with purified morpholine 8
分子名称: 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-13
公開日2020-05-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 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
6PGJ
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BU of 6pgj by Molmil
Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic acid 7)
分子名称: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, COPPER (II) ION, ...
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-24
公開日2020-05-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 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
6PDH
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BU of 6pdh by Molmil
Crystal Structure of EcDsbA in a complex with purified pyrazole 9
分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-19
公開日2020-05-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.96 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
6PG1
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BU of 6pg1 by Molmil
Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)
分子名称: 1,2-ETHANEDIOL, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, ...
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-23
公開日2020-07-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.01 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
6PD7
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BU of 6pd7 by Molmil
Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7
分子名称: (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-18
公開日2020-05-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.92 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
1BL0
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BU of 1bl0 by Molmil
MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN (MARA)/DNA COMPLEX
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*GP*CP*CP*AP*CP*GP*TP*TP*TP*TP*GP*CP*TP*AP*AP*AP*TP* CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*AP*TP*TP*TP*AP*GP*CP*AP*AP*AP*AP*CP*GP*TP*GP*GP*CP*AP* TP*C)-3'), PROTEIN (MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN)
著者Davies, S, Rhee, R.G, Martin, J.L, Rosner, D.R.
登録日1998-07-22
公開日1998-09-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel DNA-binding motif in MarA: the first structure for an AraC family transcriptional activator.
Proc.Natl.Acad.Sci.USA, 95, 1998
8EOC
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BU of 8eoc by Molmil
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2024-10-30
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
8EQO
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BU of 8eqo by Molmil
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2024-10-30
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
8EQQ
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BU of 8eqq by Molmil
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2024-10-16
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
8EQR
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BU of 8eqr by Molmil
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2024-10-23
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
8EQP
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BU of 8eqp by Molmil
Crystal structure of E.coli DsbA mutant E24A/E37A/K58A
分子名称: CITRATE ANION, GLYCEROL, 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2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
8GPB
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BU of 8gpb by Molmil
STRUCTURAL MECHANISM FOR GLYCOGEN PHOSPHORYLASE CONTROL BY PHOSPHORYLATION AND AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
著者Barford, D, Hu, S.-H, Johnson, L.N.
登録日1990-11-13
公開日1992-10-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP.
J.Mol.Biol., 218, 1991
1BQ7
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BU of 1bq7 by Molmil
DSBA MUTANT P151A, ROLE OF THE CIS-PROLINE IN THE ACTIVE SITE OF DSBA
分子名称: PROTEIN (DISULFIDE OXIDOREDUCTASE)
著者Charbonnier, J.-B, Stura, E.A.
登録日1998-08-21
公開日1999-08-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献On the role of the cis-proline residue in the active site of DsbA.
Protein Sci., 8, 1999
7JVE
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BU of 7jve by Molmil
Crystal structure of Salmonella enterica Typhimurium BcfH
分子名称: 1,2-ETHANEDIOL, DsbA family protein, MAGNESIUM ION, ...
著者Subedi, P, Heras, B, Hor, L, Paxman, J.J.
登録日2020-08-21
公開日2021-04-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Salmonella enterica BcfH Is a Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities.
Antioxid.Redox Signal., 35, 2021
5QKC
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BU of 5qkc by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A1_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.146 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
5QKS
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BU of 5qks by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A8_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.118 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
5QL9
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BU of 5ql9 by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B9_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.151 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
5QLS
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BU of 5qls by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D11_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.007 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
5QM7
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BU of 5qm7 by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E2_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.037 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
5QKM
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BU of 5qkm by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A5_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.487 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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