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
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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
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6XSP
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8EOC
 | | 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
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8EQO
 | | 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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8DN0
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6DNV
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8EQQ
 | | Crystal structure of E.coli DsbA mutant E37A | | Descriptor: | CITRATE ANION, Thiol:disulfide interchange protein DsbA | | Authors: | Wang, G, Heras, B. | | Deposit date: | 2022-10-09 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
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8EQP
 | | Crystal structure of E.coli DsbA mutant E24A/E37A/K58A | | Descriptor: | CITRATE ANION, GLYCEROL, Thiol:disulfide interchange protein DsbA | | Authors: | Wang, G, Heras, B. | | Deposit date: | 2022-10-09 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
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8EQR
 | | Crystal structure of E.coli DsbA mutant E24A | | Descriptor: | DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA | | Authors: | Wang, G, Heras, B. | | Deposit date: | 2022-10-09 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA.
Antioxidants, 12, 2023
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8E7F
 | | Crystal structure of the autotransporter Ssp from Serratia marcescens. | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Extracellular serine protease, ... | | Authors: | Hor, L, Pilapitiya, A, Panjikar, S, Paxman, J.J, Heras, B. | | Deposit date: | 2022-08-23 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a subtilisin-like autotransporter passenger domain reveals insights into its cytotoxic function.
Nat Commun, 14, 2023
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4GXZ
 | | Crystal structure of a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium | | Descriptor: | Suppression of copper sensitivity protein | | Authors: | Shepherd, M, Heras, B, King, G.J, Argente, M.P, Achard, M.E.S, King, N.P, McEwan, A.G, Schembri, M.A. | | Deposit date: | 2012-09-04 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural and functional characterization of ScsC, a periplasmic thioredoxin-like protein from Salmonella enterica serovar Typhimurium
Antioxid Redox Signal, 19, 2013
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7KOH
 | | Crystal structure of antigen 43 from Escherichia coli EDL933 | | Descriptor: | Antigen 43, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vo, J.L, Paxman, J.J, Heras, B. | | Deposit date: | 2020-11-09 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Variation of Antigen 43 self-association modulates bacterial compacting within aggregates and biofilms.
NPJ Biofilms Microbiomes, 8, 2022
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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: | 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
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7LUI
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2H0I
 | | Crystal Structure of DsbG V216M mutant | | Descriptor: | SULFATE ION, Thiol:disulfide interchange protein dsbG | | Authors: | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | | Deposit date: | 2006-05-15 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
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2H0H
 | | Crystal Structure of DsbG K113E mutant | | Descriptor: | SULFATE ION, Thiol:disulfide interchange protein dsbG | | Authors: | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | | Deposit date: | 2006-05-15 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
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2H0G
 | | Crystal Structure of DsbG T200M mutant | | Descriptor: | SULFATE ION, Thiol:disulfide interchange protein dsbG | | Authors: | Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A. | | Deposit date: | 2006-05-15 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
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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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4GUX
 | | Crystal structure of trypsin:MCoTi-II complex | | Descriptor: | ACETATE ION, CALCIUM ION, Cationic trypsin, ... | | Authors: | King, G.J, Daly, N.L, Thorstholm, L, Greenwood, K.P, Rosengren, K.J, Heras, B, Craik, D.J, Martin, J.L. | | Deposit date: | 2012-08-30 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Structural insights into the role of the cyclic backbone in a squash trypsin inhibitor
J.Biol.Chem., 288, 2013
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7JVE
 | | Crystal structure of Salmonella enterica Typhimurium BcfH | | Descriptor: | 1,2-ETHANEDIOL, DsbA family protein, MAGNESIUM ION, ... | | Authors: | Subedi, P, Heras, B, Hor, L, Paxman, J.J. | | Deposit date: | 2020-08-21 | | Release date: | 2021-04-21 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Salmonella enterica BcfH Is a Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities.
Antioxid.Redox Signal., 35, 2021
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6BEA
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3A3T
 | | The oxidoreductase NmDsbA1 from N. meningitidis | | Descriptor: | Thiol:disulfide interchange protein DsbA | | Authors: | Vivian, J.P, Scoullar, J, Bushell, S, Beddoe, T, Wilce, M.C.J, Byres, E, Boyle, T.P, Rimmer, K, Doak, B, Simpson, J.S, Graham, B, Heras, B, Kahler, C.M, Rossjohn, J, Scanlon, M.J. | | Deposit date: | 2009-06-19 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of the oxidoreductase DsbA1 from Neisseria meningitidis
J.Mol.Biol., 394, 2009
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7KOB
 | | Crystal structure of antigen 43b from Escherichia coli CFT073 | | Descriptor: | Antigen 43b, GLYCEROL | | Authors: | Martinez-Ortiz, G.C, Hor, L, Paxman, J.J, Heras, B. | | Deposit date: | 2020-11-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Variation of Antigen 43 self-association modulates bacterial compacting within aggregates and biofilms.
NPJ Biofilms Microbiomes, 8, 2022
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7KO9
 | | Crystal structure of antigen 43 from uropathogenic Escherichia coli UTI89 | | Descriptor: | AidA-I family adhesin, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vo, J.L, Hor, L, Paxman, J.J, Heras, B. | | Deposit date: | 2020-11-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Variation of Antigen 43 self-association modulates bacterial compacting within aggregates and biofilms.
NPJ Biofilms Microbiomes, 8, 2022
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