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4ML1
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BU of 4ml1 by Molmil
Disulfide isomerase (DsbP) from multidrug resistance IncA/C transferable plasmid in oxidized state (P212121 space group)
Descriptor: DsbP
Authors:Premkumar, L, Kurth, F, Neyer, S, Martin, J.L.
Deposit date:2013-09-06
Release date:2013-12-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:The Multidrug Resistance IncA/C Transferable Plasmid Encodes a Novel Domain-swapped Dimeric Protein-disulfide Isomerase.
J.Biol.Chem., 289, 2014
4OCF
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BU of 4ocf by Molmil
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
4OCE
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BU of 4oce by Molmil
Crystal structure of the disulfide oxidoreductase DsbA from Proteus mirabilis
Descriptor: MALONATE ION, Thiol:disulfide interchange protein
Authors:Kurth, F, Martin, J.L.
Deposit date:2014-01-09
Release date:2014-05-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.768 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
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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:2024-11-27
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
1BED
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BU of 1bed by Molmil
STRUCTURE OF DISULFIDE OXIDOREDUCTASE
Descriptor: DSBA OXIDOREDUCTASE
Authors:Hu, S.-H, Martin, J.L.
Deposit date:1996-09-16
Release date:1997-10-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of TcpG, the DsbA protein folding catalyst from Vibrio cholerae.
J.Mol.Biol., 268, 1997
1A95
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BU of 1a95 by Molmil
XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE
Descriptor: 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, BORIC ACID, GUANINE, ...
Authors:Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L.
Deposit date:1998-04-16
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
1AKG
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BU of 1akg by Molmil
ALPHA-CONOTOXIN PNIB FROM CONUS PENNACEUS
Descriptor: ALPHA-CONOTOXIN PNIB
Authors:Hu, S.-H, Martin, J.L.
Deposit date:1997-05-18
Release date:1998-05-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure at 1.1 A resolution of alpha-conotoxin PnIB: comparison with alpha-conotoxins PnIA and GI.
Biochemistry, 36, 1997
1A97
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BU of 1a97 by Molmil
XPRTASE FROM E. COLI COMPLEXED WITH GMP
Descriptor: BORIC ACID, GUANOSINE-5'-MONOPHOSPHATE, XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
Authors:Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L.
Deposit date:1998-04-16
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
1CJM
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BU of 1cjm by Molmil
HUMAN SULT1A3 WITH SULFATE BOUND
Descriptor: PROTEIN (ARYL SULFOTRANSFERASE), SULFATE ION
Authors:Bidwell, L.M, Mcmanus, M.E, Gaedigk, A, Kakuta, Y, Negishi, M, Pedersen, L, Martin, J.L.
Deposit date:1999-04-18
Release date:1999-11-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human catecholamine sulfotransferase.
J.Mol.Biol., 293, 1999
1A98
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BU of 1a98 by Molmil
XPRTASE FROM E. COLI COMPLEXED WITH GMP
Descriptor: XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
Authors:Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L.
Deposit date:1998-04-16
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
1A96
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BU of 1a96 by Molmil
XPRTASE FROM E. COLI WITH BOUND CPRPP AND XANTHINE
Descriptor: 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, BORIC ACID, MAGNESIUM ION, ...
Authors:Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L.
Deposit date:1998-04-16
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
1A0M
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BU of 1a0m by Molmil
1.1 ANGSTROM CRYSTAL STRUCTURE OF A-CONOTOXIN [TYR15]-EPI
Descriptor: ALPHA-CONOTOXIN [TYR15]-EPI
Authors:Hu, S.-H, Loughnan, M, Miller, R, Weeks, C.M, Blessing, R.H, Alewood, P.F, Lewis, R.J, Martin, J.L.
Deposit date:1997-12-03
Release date:1999-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 A resolution crystal structure of [Tyr15]EpI, a novel alpha-conotoxin from Conus episcopatus, solved by direct methods.
Biochemistry, 37, 1998
5TLQ
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BU of 5tlq by Molmil
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:2024-11-06
Method:SOLUTION NMR
Cite:Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
3AX4
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BU of 3ax4 by Molmil
Three-dimensional structure of lectin from Dioclea violacea and comparative vasorelaxant effects with Dioclea rostrata
Descriptor: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Bezerra, M.J.B, Bezerra, G.A, Martins, J.L, Nascimento, K.S, Nagano, C.S, Gruber, K, Assereuy, A.M, Delatorre, P, Rocha, B.A.M, Cavada, B.S.
Deposit date:2011-03-29
Release date:2012-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.613 Å)
Cite:Crystal structure of Dioclea violacea lectin and a comparative study of vasorelaxant properties with Dioclea rostrata lectin
Int.J.Biochem.Cell Biol., 45, 2013
2W53
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BU of 2w53 by Molmil
Structure of SmeT, the repressor of the Stenotrophomonas maltophilia multidrug efflux pump SmeDEF.
Descriptor: REPRESSOR, SULFATE ION
Authors:Mate, M.J, Romero, A, Hernandez, A, Martinez, J.L.
Deposit date:2008-12-04
Release date:2009-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Analysis of Smet, the Repressor of the Stenotrophomonas Maltophilia Multidrug Efflux Pump Smedef.
J.Biol.Chem., 284, 2009
3P9T
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BU of 3p9t by Molmil
SmeT-Triclosan complex
Descriptor: Repressor, SULFATE ION, TRICLOSAN
Authors:Hernandez, A, Ruiz, F.M, Romero, A, Martinez, J.L.
Deposit date:2010-10-18
Release date:2011-08-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The Binding of Triclosan to SmeT, the Repressor of the Multidrug Efflux Pump SmeDEF, Induces Antibiotic Resistance in Stenotrophomonas maltophilia.
Plos Pathog., 7, 2011
5U3E
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BU of 5u3e by Molmil
Crystal Structure of Native Lectin from Canavalia bonariensis Seeds (CaBo) complexed with alpha-methyl-D-mannoside
Descriptor: CALCIUM ION, Canavalia bonariensis seed lectin, MANGANESE (II) ION, ...
Authors:Silva, M.T.L, Osterne, V.J.S, Pinto-Junior, V.R, Santiago, M.Q, Araripe, D.A, Neco, A.H.B, Silva-Filho, J.C, Martins, J.L, Rocha, C.R.C, Leal, R.B, Nascimento, K.S, Cavada, B.S.
Deposit date:2016-12-02
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Canavalia bonariensis lectin: Molecular bases of glycoconjugates interaction and antiglioma potential.
Int. J. Biol. Macromol., 106, 2018
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:2024-10-30
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
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:2024-10-30
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
8EQQ
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BU of 8eqq by Molmil
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:2024-10-16
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
8EQR
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BU of 8eqr by Molmil
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:2024-10-23
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
8EQP
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BU of 8eqp by Molmil
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:2024-10-23
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
4WET
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BU of 4wet by Molmil
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:2024-10-30
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
6PLI
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BU of 6pli by Molmil
Crystal Structure of EcDsbA in a complex with purified oxadiazole 11
Descriptor: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
Deposit date:2019-07-01
Release date:2020-05-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
6PC9
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BU of 6pc9 by Molmil
Crystal Structure of EcDsbA in a complex with purified methylpiperazinone 6
Descriptor: 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
Deposit date:2019-06-17
Release date:2020-05-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 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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