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1GRV
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BU of 1grv by Molmil
Hypoxanthine Phosphoribosyltransferase from E. coli
Descriptor: HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION
Authors:Guddat, L.W, Vos, S, Martin, J.L, Keough, D.T, De Jersey, J.
Deposit date:2001-12-17
Release date:2002-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Free, Imp-, and Gmp- Bound Escherichia Coli Hypoxanthine Phosphoribosyltransferase
Protein Sci., 11, 2002
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:2023-09-20
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: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
4P3Y
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BU of 4p3y by Molmil
Crystal structure of Acinetobacter baumannii DsbA in complex with EF-Tu
Descriptor: Elongation factor Tu 1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Premkumar, L, Martin, J.L.
Deposit date:2014-03-10
Release date:2014-06-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Structure of the Acinetobacter baumannii Dithiol Oxidase DsbA Bound to Elongation Factor EF-Tu Reveals a Novel Protein Interaction Site.
J.Biol.Chem., 289, 2014
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
7RGV
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BU of 7rgv by Molmil
Structure of Caulobacter crescentus Suppressor of copper sensitivity protein C
Descriptor: Thioredoxin domain-containing protein
Authors:Petit, G.A, Martin, J.L, Gulbis, J.M.
Deposit date:2021-07-15
Release date:2022-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The suppressor of copper sensitivity protein C from Caulobacter crescentus is a trimeric disulfide isomerase that binds copper(I) with subpicomolar affinity.
Acta Crystallogr D Struct Biol, 78, 2022
2ONY
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BU of 2ony by Molmil
Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
Descriptor: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2007-01-24
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2OBF
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BU of 2obf by Molmil
Structure of K57A hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy (SAH)
Descriptor: (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2006-12-19
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2ONZ
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BU of 2onz by Molmil
Structure of K57A hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
Descriptor: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2007-01-25
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2OPB
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BU of 2opb by Molmil
Structure of K57A hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoHcy
Descriptor: (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2007-01-28
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase.
J.Med.Chem., 50, 2007
2MBS
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BU of 2mbs by Molmil
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
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
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
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:2023-06-14
Method:SOLUTION NMR
Cite:Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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:2011-07-13
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
6WI6
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BU of 6wi6 by Molmil
Crystal structure of plantacyclin B21AG
Descriptor: MALONATE ION, Plantacyclin B21AG
Authors:Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J.
Deposit date:2020-04-08
Release date:2021-01-06
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity.
Sci Rep, 10, 2020
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
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: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
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
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: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
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: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
3OQ7
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BU of 3oq7 by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
Descriptor: HIV-1 Protease
Authors:Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
Deposit date:2010-09-02
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3OQA
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BU of 3oqa by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
Descriptor: HIV-1 Protease
Authors:Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
Deposit date:2010-09-02
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011

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