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4OCF	Crystal structure of the disulfide oxidoreductase DsbA (S30XXC33) active site mutant from Proteus mirabilis Descriptor: THIOCYANATE ION, Thiol:disulfide interchange protein Authors: Kurth, F, Martin, J.L. Deposit date: 2014-01-09 Release date: 2014-05-28 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.979 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
4OD7	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	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
4WET	Crystal structure of E.Coli DsbA in complex with compound 16 Descriptor: 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ... Authors: Ilyichova, O.V, Scanlon, M.J. Deposit date: 2014-09-11 Release date: 2015-01-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
4WEY	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
4WF4	Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 Descriptor: 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, 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: 2014-09-12 Release date: 2015-01-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
4WF5	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
4WKW	Crystal Structure of a Conserved Hypothetical Protein from Mycobacterium leprae Determined by Iodide SAD Phasing Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2014-10-03 Release date: 2014-10-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal Structure of a Conserved Hypothetical Protein from Mycobacterium leprae to be published
4ZIJ	Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid Descriptor: 1,2-ETHANEDIOL, 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA Authors: Vazirani, M, Ilyichova, O.V, Scanlon, M.J. Deposit date: 2015-04-28 Release date: 2016-05-11 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data. J.Biomol.Nmr, 66, 2016
4ZIL	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
4ZL7	Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I Descriptor: HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA Authors: McMahon, R.M, Martin, J.L. Deposit date: 2015-05-01 Release date: 2015-12-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.922 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
4ZL8	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
4ZL9	Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal III Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TETRAETHYLENE GLYCOL, ... Authors: McMahon, R.M, Martin, J.L. Deposit date: 2015-05-01 Release date: 2015-12-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 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
5CNW	Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans Descriptor: FrnE protein, GLYCEROL Authors: Bihani, S.C, Panicker, L, Kumar, V. Deposit date: 2015-07-18 Release date: 2016-07-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.65 Å) Cite: drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases. Antioxid. Redox Signal., 28, 2018
5CO3	Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in presence of DTT Descriptor: FrnE protein, GLYCEROL Authors: Bihani, S.C, Panicker, L, Kumar, V. Deposit date: 2015-07-19 Release date: 2016-07-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.65 Å) Cite: drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases. Antioxid. Redox Signal., 28, 2018
5COH	Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in presence of beta-mercaptoethanol Descriptor: FrnE protein Authors: Bihani, S.C, Panicker, L, Kumar, V. Deposit date: 2015-07-20 Release date: 2016-07-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.801 Å) Cite: drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases. Antioxid. Redox Signal., 28, 2018
5CP1	Crystal structure of C239S mutant of a novel disulfide oxidoreductase from Deinococcus radiodurans Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FrnE protein, ... Authors: Bihani, S.C, Panicker, L, Kumar, V. Deposit date: 2015-07-21 Release date: 2016-07-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans To Be Published
5DCH	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
5E59	Crystal structure of reduced state of a novel disulfide oxidoreductase from Deinococcus radiodurans Descriptor: FrnE protein, GLYCEROL Authors: Bihani, S.C, Panicker, L, Kumar, V. Deposit date: 2015-10-08 Release date: 2016-10-12 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases. Antioxid. Redox Signal., 28, 2018
5HFG	Cytosolic disulfide reductase DsbM from Pseudomonas aeruginosa Descriptor: Uncharacterized protein, cytosolic disulfide reductase DsbM Authors: Jo, I, Ha, N.-C. Deposit date: 2016-01-07 Release date: 2016-10-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.823 Å) Cite: Crystal structures of the disulfide reductase DsbM from Pseudomonas aeruginosa Acta Crystallogr D Struct Biol, 72, 2016
5HFI	Cytosolic disulfide reductase DsbM from Pseudomonas aeruginosa with GSH Descriptor: GLUTATHIONE, Uncharacterized protein, cytosolic disulfide reductase DsbM Authors: Jo, I, Ha, N.-C. Deposit date: 2016-01-07 Release date: 2016-10-26 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Crystal structures of the disulfide reductase DsbM from Pseudomonas aeruginosa Acta Crystallogr D Struct Biol, 72, 2016
5QKC	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A1_1) 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: 2024-04-24 Method: X-RAY DIFFRACTION (2.146 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKD	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A10_1) 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 (2.113 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKE	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A11_1) 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 (2.117 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKF	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A12_1) 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 (2.141 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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