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PDB: 116 results

1BYM
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SOLUTION STRUCTURES OF THE C-TERMINAL DOMAIN OF DIPHTHERIA TOXIN REPRESSOR
Descriptor: PROTEIN (DIPHTHERIA TOXIN REPRESSOR)
Authors:Wang, G, Wylie, G.P, Twigg, P.D, Caspar, D.L.D, Murphy, J.R, Logan, T.M.
Deposit date:1998-10-17
Release date:1998-10-21
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure and peptide binding studies of the C-terminal src homology 3-like domain of the diphtheria toxin repressor protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
7LUI
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BU of 7lui by Molmil
Crystal structure of Vibrio cholerae DsbA in complex with bile salt taurocholate
Descriptor: GLYCEROL, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2021-02-22
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.
Chemmedchem, 17, 2022
7LSM
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BU of 7lsm by Molmil
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
6NM3
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BU of 6nm3 by Molmil
NMR structure of WW295
Descriptor: WW295 peptide
Authors:Wang, G, Zarena, D.
Deposit date:2019-01-10
Release date:2020-07-15
Last modified:2020-09-09
Method:SOLUTION NMR
Cite:Two distinct amphipathic peptide antibiotics with systemic efficacy.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NM2
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BU of 6nm2 by Molmil
NMR Structure of WW291
Descriptor: WW291 peptide
Authors:Wang, G, Zarena, D.
Deposit date:2019-01-10
Release date:2020-07-15
Last modified:2020-09-09
Method:SOLUTION NMR
Cite:The pi Configuration of the WWW Motif of a Short Trp-Rich Peptide Is Critical for Targeting Bacterial Membranes, Disrupting Preformed Biofilms, and Killing Methicillin-Resistant Staphylococcus aureus.
Biochemistry, 56, 2017
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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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
6XT3
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BU of 6xt3 by Molmil
Crystal structure of E.coli DsbA in complex with 3-(3-(carboxymethyl)-6-(3-methoxyphenyl)benzofuran-2-yl)benzoic acid
Descriptor: 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2020-07-17
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 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
3H98
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BU of 3h98 by Molmil
Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative
Descriptor: GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L.
Deposit date:2009-04-30
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
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
5KI0
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BU of 5ki0 by Molmil
NMR structure of human antimicrobial peptide KAMP-19
Descriptor: Antimicrobial peptide KAMP-19
Authors:Wang, G.
Deposit date:2016-06-16
Release date:2016-11-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Membrane-Active Epithelial Keratin 6A Fragments (KAMPs) Are Unique Human Antimicrobial Peptides with a Non-alpha beta Structure.
Front Microbiol, 7, 2016
8DN0
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BU of 8dn0 by Molmil
E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, ...
Authors:Wang, G, Heras, B.
Deposit date:2022-07-10
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
To Be Published
6PVZ
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BU of 6pvz by Molmil
E.coli DsbA in complex with benzofuran compound 28 ((6-benzyl-1-benzofuran-3-yl)acetic acid)
Descriptor: (6-benzyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2019-07-21
Release date:2019-12-25
Last modified:2020-10-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6PVY
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BU of 6pvy by Molmil
E.coli DsbA in complex with benzofuran compound 26 ([6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid)
Descriptor: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Wang, G, Heras, B.
Deposit date:2019-07-21
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
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
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
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
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
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
4QKF
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BU of 4qkf by Molmil
Crystal structure of human ALKBH7 in complex with N-oxalylglycine and Mn(II)
Descriptor: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial, MANGANESE (II) ION, ...
Authors:Wang, G, Chen, Z.
Deposit date:2014-06-06
Release date:2014-08-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The atomic resolution structure of human AlkB homolog 7 (ALKBH7), a key protein for programmed necrosis and fat metabolism
J.Biol.Chem., 289, 2014
4QKB
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BU of 4qkb by Molmil
Crystal structure of seleno-methionine labelled human ALKBH7 in complex with alpha-ketoglutarate and Mn(II)
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial, ...
Authors:Wang, G, He, Q, Chen, Z.
Deposit date:2014-06-05
Release date:2014-08-20
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The atomic resolution structure of human AlkB homolog 7 (ALKBH7), a key protein for programmed necrosis and fat metabolism
J.Biol.Chem., 289, 2014
4QKD
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Crystal structure of human ALKBH7 in complex with alpha-ketoglutarate and Mn(II)
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial, ...
Authors:Wang, G, Chen, Z.
Deposit date:2014-06-06
Release date:2014-08-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The atomic resolution structure of human AlkB homolog 7 (ALKBH7), a key protein for programmed necrosis and fat metabolism
J.Biol.Chem., 289, 2014
1GW3
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BU of 1gw3 by Molmil
THE HELIX-HINGE-HELIX STRUCTURAL MOTIF IN HUMAN APOLIPOPROTEIN A-I DETERMINED BY NMR SPECTROSCOPY, 1 STRUCTURE
Descriptor: APOA-I
Authors:Wang, G, Sparrow, J.T, Cushley, R.J.
Deposit date:1997-06-04
Release date:1997-07-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The helix-hinge-helix structural motif in human apolipoprotein A-I determined by NMR spectroscopy.
Biochemistry, 36, 1997
1GW4
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BU of 1gw4 by Molmil
THE HELIX-HINGE-HELIX STRUCTURAL MOTIF IN HUMAN APOLIPOPROTEIN A-I DETERMINED BY NMR SPECTROSCOPY, 1 STRUCTURE
Descriptor: APOA-I
Authors:Wang, G, Sparrow, J.T, Cushley, R.J.
Deposit date:1997-06-04
Release date:1997-07-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The helix-hinge-helix structural motif in human apolipoprotein A-I determined by NMR spectroscopy.
Biochemistry, 36, 1997
1NH9
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BU of 1nh9 by Molmil
Crystal Structure of a DNA Binding Protein Mja10b from the hyperthermophile Methanococcus jannaschii
Descriptor: DNA-binding protein Alba
Authors:Wang, G, Bartlam, M, Guo, R, Yang, H, Xue, H, Liu, Y, Huang, L, Rao, Z.
Deposit date:2002-12-19
Release date:2003-12-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a DNA binding protein from the hyperthermophilic euryarchaeon Methanococcus jannaschii
Protein Sci., 12, 2003

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