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PDB: 180 results

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:2024-05-22
Method:SOLUTION NMR
Cite:The helix-hinge-helix structural motif in human apolipoprotein A-I determined by NMR spectroscopy.
Biochemistry, 36, 1997
9FET
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BU of 9fet by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-47
Descriptor: Serine/threonine-protein kinase VRK2, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
Authors:Wang, G.Q, Amrhein, J.A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-05-21
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-47
To Be Published
9FR2
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BU of 9fr2 by Molmil
CDK2 in complex with WEIZ-WX-04-001
Descriptor: 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride, Cyclin-dependent kinase 2
Authors:Wang, G.Q, Liu, Y.H, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-18
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CDK2 in complex with WEIZ-WX-04-001
To Be Published
2L5M
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BU of 2l5m by Molmil
Solution structure of GF-17 in complex with micelles
Descriptor: GF-17
Authors:Wang, G.
Deposit date:2010-11-02
Release date:2011-11-02
Last modified:2012-02-29
Method:SOLUTION NMR
Cite:Decoding the Functional Roles of Cationic Side Chains of the Major Antimicrobial Region of Human Cathelicidin LL-37.
Antimicrob.Agents Chemother., 56, 2012
8K5O
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BU of 8k5o by Molmil
Cryo-EM structure of the RC-LH core comples from Halorhodospira halochloris
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ...
Authors:Wang, G.-L, Qi, C.-H, Yu, L.-J.
Deposit date:2023-07-22
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
J Integr Plant Biol, 2024
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
1XOE
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BU of 1xoe by Molmil
N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE, Neuraminidase, ...
Authors:Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G.
Deposit date:2004-10-06
Release date:2005-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15, 2005
1XOG
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BU of 1xog by Molmil
N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID, Neuraminidase, ...
Authors:Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G.
Deposit date:2004-10-06
Release date:2005-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15, 2005
1BYM
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BU of 1bym by Molmil
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:2024-05-22
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
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
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
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
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
7ENQ
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BU of 7enq by Molmil
Crystal structure of human NAMPT in complex with compound NAT
Descriptor: 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.204966 Å)
Cite:Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Cell Res., 32, 2022
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
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:2024-05-15
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
2F3A
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BU of 2f3a by Molmil
Solution structure of the LL-37-derived aurein 1.2 analog (LLAA) in membrane-mimetic micelles
Descriptor: aurein 1.2 analog
Authors:Wang, G, Li, X, Peterkofsky, A.
Deposit date:2005-11-19
Release date:2006-10-17
Last modified:2020-06-24
Method:SOLUTION NMR
Cite:NMR studies of aurein 1.2 analogs
BIOCHIM.BIOPHYS.ACTA, 1758, 2006
2FBS
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BU of 2fbs by Molmil
Solution structure of the LL-37 core peptide bound to detergent micelles
Descriptor: Antibacterial protein FALL-39, core peptide
Authors:Wang, G, Li, X.
Deposit date:2005-12-10
Release date:2006-05-23
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structures of Human LL-37 Fragments and NMR-Based Identification of a Minimal Membrane-Targeting Antimicrobial and Anticancer Region
J.Am.Chem.Soc., 128, 2006
3BGW
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BU of 3bgw by Molmil
The Structure Of A DnaB-Like Replicative Helicase And Its Interactions With Primase
Descriptor: DNAB-Like Replicative Helicase
Authors:Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
Deposit date:2007-11-27
Release date:2007-12-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
3BH0
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BU of 3bh0 by Molmil
ATPase Domain of G40P
Descriptor: DNAB-LIKE REPLICATIVE HELICASE
Authors:Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
Deposit date:2007-11-27
Release date:2007-12-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
1OEF
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BU of 1oef by Molmil
PEPTIDE OF HUMAN APOE RESIDUES 263-286, NMR, 5 STRUCTURES AT PH 4.8, 37 DEGREES CELSIUS AND PEPTIDE:SDS MOLE RATIO OF 1:90
Descriptor: APOLIPOPROTEIN E
Authors:Wang, G, Pierens, G.K, Treleaven, W.D, Sparrow, J.T, Cushley, R.J.
Deposit date:1996-03-16
Release date:1996-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformations of human apolipoprotein E(263-286) and E(267-289) in aqueous solutions of sodium dodecyl sulfate by CD and 1H NMR.
Biochemistry, 35, 1996
1OEG
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BU of 1oeg by Molmil
PEPTIDE OF HUMAN APOE RESIDUES 267-289, NMR, 5 STRUCTURES AT PH 6.0, 37 DEGREES CELSIUS AND PEPTIDE:SDS MOLE RATIO OF 1:90
Descriptor: APOLIPOPROTEIN E
Authors:Wang, G, Pierens, G.K, Treleaven, W.D, Sparrow, J.T, Cushley, R.J.
Deposit date:1996-03-16
Release date:1996-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformations of human apolipoprotein E(263-286) and E(267-289) in aqueous solutions of sodium dodecyl sulfate by CD and 1H NMR.
Biochemistry, 35, 1996
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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