2B6M
 
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2B3S
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7S1D
 | | Crystal structure of E.coli DsbA in complex with compound MIPS-0001877 (compound 39) | | Descriptor: | 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | | Deposit date: | 2021-09-02 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
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7S1F
 | | Crystal structure of E.coli DsbA in complex with compound MIPS-0001886 (compound 38) | | Descriptor: | 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one, COPPER (II) ION, GLYCEROL, ... | | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | | Deposit date: | 2021-09-02 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
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7S1C
 | | Crystal structure of E.coli DsbA in complex with compound MIPS-0001897 (compound 1) | | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine | | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Sharma, P. | | Deposit date: | 2021-09-02 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
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7S1L
 | | Crystal structure of E.coli DsbA in complex with compound MIPS-0001896 (compound 72) | | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate | | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | | Deposit date: | 2021-09-02 | | Release date: | 2023-02-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.623 Å) | | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
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6WHD
 | | Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2 | | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid | | Authors: | Wang, G, Heras, B. | | Deposit date: | 2020-04-08 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 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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6XSP
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6XSQ
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6XT3
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8UBQ
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8U59
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8UF9
 | | EcDsbA in complex with 2-benzyl-4-phenylthiazole-5-carboxylic acid | | Descriptor: | 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | | Authors: | Wang, G, Heras, B. | | Deposit date: | 2023-10-04 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium
To Be Published
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8U1Y
 | | E.coli DsbA in complex with N-(4-(thiophen-3-yl)benzyl)cyclohexanamine | | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine | | Authors: | Wang, G, Heras, B. | | Deposit date: | 2023-09-04 | | Release date: | 2024-09-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium
To Be Published
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3DKS
 | | DsbA substrate complex | | Descriptor: | Thiol:disulfide interchange protein dsbA, siga peptide | | Authors: | Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J. | | Deposit date: | 2008-06-25 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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3DVW
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3FZ5
 | | Crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from Rhodobacter sphaeroides | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLUTATHIONE, ... | | Authors: | Chang, C, Hatzos, C, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-23 | | Release date: | 2009-02-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from Rhodobacter sphaeroides
To be Published
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3GYK
 | | The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3 | | Descriptor: | 1,2-ETHANEDIOL, 27kDa outer membrane protein, SULFATE ION | | Authors: | Fan, Y, Marshall, N, Keigher, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-04-03 | | Release date: | 2009-06-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3
To be Published
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3H93
 | | Crystal Structure of Pseudomonas aeruginosa DsbA | | Descriptor: | GLYCEROL, Thiol:disulfide interchange protein dsbA | | Authors: | Shouldice, S.R. | | Deposit date: | 2009-04-29 | | Release date: | 2009-12-08 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Characterization of the DsbA Oxidative Folding Catalyst from Pseudomonas aeruginosa Reveals a Highly Oxidizing Protein that Binds Small Molecules.
Antioxid Redox Signal, 12, 2010
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7L7C
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7LHP
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7L76
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7LUI
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7LSM
 | | Crystal structure of E.coli DsbA in complex with bile salt taurocholate | | Descriptor: | DI(HYDROXYETHYL)ETHER, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA | | Authors: | Wang, G, Heras, B. | | Deposit date: | 2021-02-18 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.786 Å) | | Cite: | Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.
Chemmedchem, 17, 2022
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7LUH
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