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2NDO
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BU of 2ndo by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
J.Biomol.Nmr, 66, 2016
6DXN
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BU of 6dxn by Molmil
1.95 Angstrom Resolution Crystal Structure of DsbA Disulfide Interchange Protein from Klebsiella pneumoniae.
Descriptor: TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein
Authors:Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-06-29
Release date:2018-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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
6WHD
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BU of 6whd by Molmil
Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-04-08
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
4DVC
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BU of 4dvc by Molmil
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
5HFI
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BU of 5hfi by Molmil
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
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
5HFG
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BU of 5hfg by Molmil
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
5E59
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BU of 5e59 by Molmil
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
2B6M
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BU of 2b6m by Molmil
Structure of the DsbA mutant (P31A-C33A)
Descriptor: DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein dsbA
Authors:Vives, C, Royant, A, Serre, L.
Deposit date:2005-10-03
Release date:2006-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the DsbA mutant
To be Published
2B3S
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BU of 2b3s by Molmil
structure of the DSBA mutant (P31G-C33A)
Descriptor: Thiol:disulfide interchange protein dsbA
Authors:Vives, C, Royant, A, Serre, L.
Deposit date:2005-09-21
Release date:2006-09-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of the DSBA mutant (P31G-C33A)
To be Published
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
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
6BR4
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BU of 6br4 by Molmil
Crystal structure of Escherichia coli DsbA in complex with {N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
Authors:Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J, Martin, J.L.
Deposit date:2017-11-29
Release date:2017-12-27
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
7DK9
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BU of 7dk9 by Molmil
Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein
Descriptor: DI(HYDROXYETHYL)ETHER, DSBA domain-containing protein, PHOSPHATE ION
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2020-11-23
Release date:2021-11-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein
To Be Published
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
6BQX
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BU of 6bqx by Molmil
Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine
Descriptor: N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA
Authors:Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J.
Deposit date:2017-11-29
Release date:2017-12-27
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
1R4W
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BU of 1r4w by Molmil
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
3RPN
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BU of 3rpn by Molmil
Crystal structure of human kappa class glutathione transferase in complex with S-hexylglutathione
Descriptor: Glutathione S-transferase kappa 1, S-HEXYLGLUTATHIONE
Authors:Wang, B, Peng, Y, Zhang, T, Ding, J.
Deposit date:2011-04-27
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures and kinetic studies of human Kappa class glutathione transferase provide insights into the catalytic mechanism.
Biochem.J., 439, 2011
3RPP
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BU of 3rpp by Molmil
Crystal structure of human kappa class glutathione transferase in apo form
Descriptor: Glutathione S-transferase kappa 1
Authors:Wang, B, Peng, Y, Zhang, T, Ding, J.
Deposit date:2011-04-27
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures and kinetic studies of human Kappa class glutathione transferase provide insights into the catalytic mechanism.
Biochem.J., 439, 2011
1TI1
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BU of 1ti1 by Molmil
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
1DSB
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BU of 1dsb by Molmil
CRYSTAL STRUCTURE OF THE DSBA PROTEIN REQUIRED FOR DISULPHIDE BOND FORMATION IN VIVO
Descriptor: DSBA
Authors:Martin, J.L, Bardwell, J.C.A, Kuriyan, J.
Deposit date:1993-05-24
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the DsbA protein required for disulphide bond formation in vivo.
Nature, 365, 1993
1U3A
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BU of 1u3a by Molmil
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
6XSP
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BU of 6xsp by Molmil
Crystal structure of E.coli DsbA in complex with 2-(2,6-bis(3-methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-07-15
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 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
6XSQ
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BU of 6xsq by Molmil
Crystal structure of E.coli DsbA in complex with 2-(6-(3-methoxyphenyl)-2-(4-methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-07-16
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 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

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