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4DVC
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Structural and functional studies of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera toxin production
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, Thiol:disulfide interchange protein DsbA
Authors:Walden, P.M, Martin, J.L.
Deposit date:2012-02-23
Release date:2012-10-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The 1.2 A resolution crystal structure of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera-toxin production
Acta Crystallogr.,Sect.D, 68, 2012
2IMF
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BU of 2imf by Molmil
2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida
Descriptor: 2-hydroxychromene-2-carboxylate isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID, ...
Authors:Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N.
Deposit date:2006-10-04
Release date:2007-06-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:2-Hydroxychromene-2-carboxylic acid isomerase: a kappa class glutathione transferase from Pseudomonas putida.
Biochemistry, 46, 2007
7PQ8
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BU of 7pq8 by Molmil
Crystal structure of Campylobacter jejuni DsbA1
Descriptor: TETRAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:Orlikowska, M, Bocian-Ostrzycka, K.M, Banas, A.M, Jagusztyn-Krynicka, E.K.
Deposit date:2021-09-16
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.329 Å)
Cite:Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis.
Int J Mol Sci, 22, 2021
4ZL8
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BU of 4zl8 by Molmil
Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal II
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Thiol:disulfide interchange protein DsbA
Authors:McMahoh, R.M, Martin, J.L.
Deposit date:2015-05-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5DCH
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BU of 5dch by Molmil
Crystal structure of Pseudomonas aeruginosa DsbA E82I in complex with MIPS-0000851 (3-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-4-AMINE)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, GLYCEROL, ...
Authors:McMahon, R.M, Martin, J.L.
Deposit date:2015-08-24
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
4WF5
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BU of 4wf5 by Molmil
Crystal structure of E.Coli DsbA soaked with compound 4
Descriptor: 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ...
Authors: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.
Deposit date:2014-09-12
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
8EOC
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BU of 8eoc by Molmil
Crystal structure of E.coli DsbA mutant E24A/K58A
Descriptor: COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-10-03
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
8CXE
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BU of 8cxe by Molmil
Crystal Structure of EcDsbA in a complex with 1H-imidazole
Descriptor: IMIDAZOLE, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-20
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
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
4ZIL
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BU of 4zil by Molmil
Crystal structure of Rv2466c and oxidoreductase from Mycobacterium tuberculosis in its reduced state
Descriptor: DSBA oxidoreductase, MAGNESIUM ION
Authors:Albesa-Jove, D, Urresti, S, Comino, N, Tersa, M, Guerin, M.E.
Deposit date:2015-04-28
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.507 Å)
Cite:The Redox State Regulates the Conformation of Rv2466c to Activate the Antitubercular Prodrug TP053.
J.Biol.Chem., 290, 2015
3C7M
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BU of 3c7m by Molmil
Crystal structure of reduced DsbL
Descriptor: CADMIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Stirnimann, C.U, Grimshaw, J.P.A, Glockshuber, R, Grutter, M.G, Capitani, G.
Deposit date:2008-02-07
Release date:2008-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:DsbL and DsbI form a specific dithiol oxidase system for periplasmic arylsulfate sulfotransferase in uropathogenic Escherichia coli.
J.Mol.Biol., 380, 2008
4WEY
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BU of 4wey by Molmil
Crystal structure of E.Coli DsbA in complex with compound 17
Descriptor: 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein
Authors: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.
Deposit date:2014-09-11
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
7PQ7
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BU of 7pq7 by Molmil
Crystal structure of Campylobacter jejuni DsbA1
Descriptor: TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:Wilk, P, Orlikowska, M, Banas, A.M, Bocian-Ostrzycka, K.M, Jagusztyn-Krynicka, E.K.
Deposit date:2021-09-16
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis.
Int J Mol Sci, 22, 2021
7DKA
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BU of 7dka by Molmil
Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, C24S mutant protein
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2020-11-23
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein
To Be Published
3L9U
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BU of 3l9u by Molmil
Crystal Structure of Salmonella enterica serovar Typhimurium DsbL
Descriptor: Disulfide isomerase
Authors:Heras, B, Jarrott, R, Shouldice, S.R, Guncar, G.
Deposit date:2010-01-05
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.568 Å)
Cite:Structural and functional characterization of three DsbA paralogues from Salmonella enterica serovar typhimurium
J.Biol.Chem., 285, 2010
8DN0
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BU of 8dn0 by Molmil
E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, ...
Authors:Wang, G, Heras, B.
Deposit date:2022-07-10
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
To Be Published
3L9S
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BU of 3l9s by Molmil
Crystal Structure of Salmonella enterica serovar Typhimurium DsbA
Descriptor: Thiol:disulfide interchange protein
Authors:Heras, B, Jarrott, R, Shouldice, S.R, Guncar, G.
Deposit date:2010-01-05
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and functional characterization of three DsbA paralogues from Salmonella enterica serovar typhimurium
J.Biol.Chem., 285, 2010
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
5QO9
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BU of 5qo9 by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_4)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QNY
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BU of 5qny by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_24)
Descriptor: Thiol:disulfide interchange protein
Authors:Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
Deposit date:2019-01-27
Release date:2020-02-05
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
4OD7
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BU of 4od7 by Molmil
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
2IMD
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BU of 2imd by Molmil
Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase)
Descriptor: (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID, (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID, 2-hydroxychromene-2-carboxylate isomerase, ...
Authors:Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N.
Deposit date:2006-10-04
Release date:2007-06-12
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:2-Hydroxychromene-2-carboxylic Acid Isomerase: A Kappa Class Glutathione Transferase from Pseudomonas putida
Biochemistry, 46, 2007
8D10
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BU of 8d10 by Molmil
Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine
Descriptor: 1-(1-methyl-1H-pyrazol-5-yl)methanamine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D12
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BU of 8d12 by Molmil
Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-4-amine
Descriptor: 1-methyl-1H-pyrazol-4-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8EQO
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BU of 8eqo by Molmil
Crystal structure of E.coli DsbA mutant K58A
Descriptor: COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-10-08
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023

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