2B3S
 
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5TLQ
 | | Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | | Deposit date: | 2016-10-11 | | Release date: | 2017-04-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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3L9U
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3L9V
 | | Crystal Structure of Salmonella enterica serovar Typhimurium SrgA | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, HEXAETHYLENE GLYCOL, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ... | | Authors: | Heras, B, Jarrott, R, Shouldice, S.R, Guncar, G. | | Deposit date: | 2010-01-05 | | Release date: | 2010-03-09 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Structural and functional characterization of three DsbA paralogues from Salmonella enterica serovar typhimurium
J.Biol.Chem., 285, 2010
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4K2D
 | | Crystal structure of Burkholderia Pseudomallei DsbA | | Descriptor: | GLYCEROL, Thiol:disulfide interchange protein | | Authors: | McMahon, R.M. | | Deposit date: | 2013-04-09 | | Release date: | 2013-08-14 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Disarming Burkholderia pseudomallei: Structural and Functional Characterization of a Disulfide Oxidoreductase (DsbA) Required for Virulence In Vivo.
Antioxid Redox Signal, 20, 2014
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6XSP
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6XSQ
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6XT3
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3L9S
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2MBT
 | | NMR study of PaDsbA | | Descriptor: | Thiol:disulfide interchange protein DsbA | | Authors: | Rimmer, K, Mohanty, B, Scanlon, M.J. | | Deposit date: | 2013-08-03 | | Release date: | 2014-11-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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2NDO
 | | Structure of EcDsbA-sulfonamide1 complex | | Descriptor: | 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA | | Authors: | 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. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
J.Biomol.Nmr, 66, 2016
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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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4JRR
 | | Crystal structure of disulfide bond oxidoreductase DsbA1 from Legionella pneumophila | | Descriptor: | GLYCEROL, SULFATE ION, Thiol:disulfide interchange protein DsbA | | Authors: | 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) | | Deposit date: | 2013-03-21 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of disulfide bond oxidoreductase DsbA1 from Legionella pneumophila
To be Published
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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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4MCU
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2MBS
 | | NMR solution structure of oxidized KpDsbA | | Descriptor: | Thiol:disulfide interchange protein | | Authors: | 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. | | Deposit date: | 2013-08-03 | | Release date: | 2013-12-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | 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
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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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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: | 2024-04-03 | | 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: | 2024-04-03 | | 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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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: | 2024-04-03 | | 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: | 2024-04-03 | | 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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1R4W
 | | Crystal structure of Mitochondrial class kappa glutathione transferase | | Descriptor: | GLUTATHIONE, Glutathione S-transferase, mitochondrial | | Authors: | Ladner, J.E, Parsons, J.F, Rife, C.L, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2003-10-08 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Parallel Evolutionary Pathways for Glutathione Transferases: Structure and Mechanism of the Mitochondrial Class Kappa Enzyme rGSTK1-1
Biochemistry, 43, 2004
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1U3A
 | | mutant DsbA | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Thiol: disulfide interchange protein dsbA | | Authors: | Serre, L. | | Deposit date: | 2004-07-21 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Intriguing conformation changes associated with the trans/cis isomerization of a prolyl residue in the active site of the DsbA C33A mutant
J.Mol.Biol., 347, 2005
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3GL5
 | | 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
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1TI1
 | | crystal structure of a mutant DsbA | | Descriptor: | DODECANE, Thiol:disulfide interchange protein dsbA | | Authors: | Kone, A, Serre, L. | | Deposit date: | 2004-06-02 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Intriguing conformation changes associated with the trans/cis isomerization of a prolyl residue in the active site of the DsbA C33A mutant.
J.Mol.Biol., 347, 2005
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