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4OD7
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Complex structure of Proteus mirablis DsbA (C30S) with a non-covalently bound peptide PWATCDS
Descriptor: (ACE)PWATCDS(NH2) Peptide, THIOCYANATE ION, Thiol:disulfide interchange protein
Authors:Kurth, F, Premkumar, L, Martin, J.L.
Deposit date:2014-01-10
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Crystal Structure of the Dithiol Oxidase DsbA Enzyme from Proteus Mirabilis Bound Non-covalently to an Active Site Peptide Ligand.
J.Biol.Chem., 289, 2014
4TKY
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BU of 4tky by Molmil
The complex structure of E. coli DsbA bound to a peptide at the DsbA/DsbB interface
Descriptor: ACETYL GROUP, AMINO GROUP, PRO-PHE-ALA-THR-CYS-ASP-SER, ...
Authors:Premkumar, L, Martin, J.L.
Deposit date:2014-05-28
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Peptide Inhibitors of the Escherichia coli DsbA Oxidative Machinery Essential for Bacterial Virulence.
J.Med.Chem., 58, 2015
7S1C
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BU of 7s1c by Molmil
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:2024-04-03
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
7S1F
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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:2024-04-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
7S1D
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BU of 7s1d by Molmil
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:2024-04-03
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
7S1L
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BU of 7s1l by Molmil
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:2024-04-03
Method:X-RAY DIFFRACTION (1.623 Å)
Cite:Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
7TTV
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BU of 7ttv by Molmil
E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid
Descriptor: 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-02-02
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes.
Sci Rep, 12, 2022
7L7C
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BU of 7l7c by Molmil
Crystal Structure of EcDsbA in a complex with 2-(6-(3-Methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2020-12-28
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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BU of 7l76 by Molmil
Crystal Structure of EcDsbA in a complex with 2-(6-Phenylbenzofuran-3-yl)acetic acid
Descriptor: (6-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2020-12-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
3DKS
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BU of 3dks by Molmil
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
7LHP
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BU of 7lhp by Molmil
Crystal Structure of EcDsbA in a complex with methyl 2-(6-bromo-2-phenylbenzofuran-3-yl)acetate
Descriptor: (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2021-01-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
7LSM
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BU of 7lsm by Molmil
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:2023-10-18
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
7LUI
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BU of 7lui by Molmil
Crystal structure of Vibrio cholerae DsbA in complex with bile salt taurocholate
Descriptor: GLYCEROL, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2021-02-22
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.
Chemmedchem, 17, 2022
7LUH
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BU of 7luh by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide
Descriptor: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
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BU of 7luj by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide
Descriptor: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
3FZ5
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BU of 3fz5 by Molmil
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
3GYK
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BU of 3gyk by Molmil
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
3H93
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BU of 3h93 by Molmil
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
3GL5
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BU of 3gl5 by Molmil
Crystal structure of probable DsbA oxidoreductase SCO1869 from Streptomyces coelicolor
Descriptor: ACETATE ION, Putative DsbA oxidoreductase SCO1869, SODIUM ION
Authors:Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-03-11
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of probable DsbA oxidoreductase SCO1869 from Streptomyces coelicolor
To be Published
1ACV
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BU of 1acv by Molmil
DSBA MUTANT H32S
Descriptor: DSBA
Authors:Guddat, L.W, Martin, J.L.
Deposit date:1997-02-10
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997
1A2J
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BU of 1a2j by Molmil
OXIDIZED DSBA CRYSTAL FORM II
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-09-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
1AC1
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BU of 1ac1 by Molmil
DSBA MUTANT H32L
Descriptor: DSBA
Authors:Guddat, L.W, Martin, J.L.
Deposit date:1997-02-10
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of three His32 mutants of DsbA: support for an electrostatic role of His32 in DsbA stability.
Protein Sci., 6, 1997
1A2M
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BU of 1a2m by Molmil
OXIDIZED DSBA AT 2.7 ANGSTROMS RESOLUTION, CRYSTAL FORM III
Descriptor: DISULFIDE BOND FORMATION PROTEIN
Authors:Martin, J.L, Guddat, L.W.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
1A24
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BU of 1a24 by Molmil
SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, FAMILY OF 20 STRUCTURES
Descriptor: DSBA
Authors:Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R.
Deposit date:1998-01-15
Release date:1998-09-16
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998
1A23
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BU of 1a23 by Molmil
SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, MINIMIZED AVERAGE STRUCTURE
Descriptor: DSBA
Authors:Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R.
Deposit date:1998-01-15
Release date:1998-09-16
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998

219869

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