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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
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
6MK8
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BU of 6mk8 by Molmil
NMR structure of Database designed and improved anti-Staphylococcal peptide DFT503 bound to micelles
Descriptor: Anti-Staphylococcal peptide DFT503
Authors:Wang, G.
Deposit date:2018-09-25
Release date:2019-06-19
Last modified:2019-12-18
Method:SOLUTION NMR
Cite:Low cationicity is important for systemic in vivo efficacy of database-derived peptides against drug-resistant Gram-positive pathogens.
Proc.Natl.Acad.Sci.USA, 116, 2019
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
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
1GGR
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BU of 1ggr by Molmil
COMPLEX OF ENZYME IIAGLC AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Descriptor: PHOSPHITE ION, PHOSPHOCARRIER PROTEIN HPR, PTS SYSTEM, ...
Authors:Clore, G.M, Wang, G.
Deposit date:2000-09-18
Release date:2000-11-15
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the phosphoryl transfer complex between the signal transducing proteins HPr and IIA(glucose) of the Escherichia coli phosphoenolpyruvate:sugar phosphotransferase system.
EMBO J., 19, 2000
2FCG
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BU of 2fcg by Molmil
Solution structure of the C-terminal fragment of human LL-37
Descriptor: Antibacterial protein FALL-39, core peptide
Authors:Wang, G, Li, X.
Deposit date:2005-12-12
Release date:2006-05-23
Last modified:2024-05-29
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
2FBU
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BU of 2fbu by Molmil
Solution structure of the N-terminal fragment of human LL-37
Descriptor: Antibacterial protein FALL-39, core peptide
Authors:Wang, G, Li, X.
Deposit date:2005-12-10
Release date:2006-05-23
Last modified:2024-05-29
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
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
5T17
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BU of 5t17 by Molmil
NMR structure of the E. coli protein NPr, residues 1-85
Descriptor: Phosphocarrier protein NPr
Authors:Wang, G, Li, X, Peterkofsky, A.
Deposit date:2016-08-18
Release date:2016-09-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of NPr, a bacterial signal-transducing protein that controls the phosphorylation state of the potassium transporter-regulating protein IIA Ntr.
Amino Acids, 35, 2008
7FIF
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BU of 7fif by Molmil
Cryo-EM structure of the hedgehog release protein Disp from water bear (Hypsibius dujardini)
Descriptor: Protein dispatched-like protein 1
Authors:Luo, Y, Wan, G, Wang, Q, Zhao, Y, Cong, Y, Li, D.
Deposit date:2021-07-31
Release date:2021-09-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Architecture of Dispatched, a Transmembrane Protein Responsible for Hedgehog Release.
Front Mol Biosci, 8, 2021
1VE6
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BU of 1ve6 by Molmil
Crystal structure of an acylpeptide hydrolase/esterase from Aeropyrum pernix K1
Descriptor: Acylamino-acid-releasing enzyme, GLYCEROL, octyl beta-D-glucopyranoside
Authors:Bartlam, M, Wang, G, Gao, R, Yang, H, Zhao, X, Xie, G, Cao, S, Feng, Y, Rao, Z.
Deposit date:2004-03-27
Release date:2004-11-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of an acylpeptide hydrolase/esterase from Aeropyrum pernix K1
STRUCTURE, 12, 2004
5DUP
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BU of 5dup by Molmil
Influenza A virus H5 hemagglutinin globular head in complex with antibody AVFluIgG03
Descriptor: AVFluIgG03 Heavy Chain, AVFluIgG03 Light Chain, Hemagglutinin
Authors:Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L.
Deposit date:2015-09-20
Release date:2015-12-16
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
6KXS
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BU of 6kxs by Molmil
Cryo-EM structure of human IgM-Fc in complex with the J chain and the ectodomain of pIgR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, ...
Authors:Li, Y, Wang, G, Xiao, J.
Deposit date:2019-09-12
Release date:2020-02-05
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into immunoglobulin M.
Science, 367, 2020
7Y35
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BU of 7y35 by Molmil
Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex
Descriptor: Abaloparatide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z.
Deposit date:2022-06-09
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex
To Be Published
7Y36
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BU of 7y36 by Molmil
Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, HYDROXIDE ION, ...
Authors:Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z.
Deposit date:2022-06-10
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs complex
to be published
8F28
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BU of 8f28 by Molmil
Lysozyme Structures from Single-Entity Crystallization Method NanoAC
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Yang, R, Sankaran, B, Ogbonna, E, Wang, G.
Deposit date:2022-11-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Single-Entity Method for Actively Controlled Nucleation and High-Quality Protein Crystal Synthesis.
Anal.Chem., 95, 2023
3KLX
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BU of 3klx by Molmil
Crystal structure of native abscisic acid receptor PYL3
Descriptor: F3N23.20 protein, SULFATE ION
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-09
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3KL1
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BU of 3kl1 by Molmil
Crystal structure of abscisic acid receptor PYL2 at 1.55 A
Descriptor: Putative uncharacterized protein At2g26040
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-06
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
1IFA
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BU of 1ifa by Molmil
THREE-DIMENSIONAL CRYSTAL STRUCTURE OF RECOMBINANT MURINE INTERFERON-BETA
Descriptor: ASPARAGINE, INTERFERON-BETA
Authors:Mitsui, Y, Senda, T, Matsuda, S, Kawano, G, Nakamura, K.T, Shimizu, H.
Deposit date:1991-10-29
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional crystal structure of recombinant murine interferon-beta.
EMBO J., 11, 1992
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
Authors:Zhu, Q, Wang, G, Xiao, J.
Deposit date:2020-04-24
Release date:2020-06-10
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
1WNO
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BU of 1wno by Molmil
Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z.
Deposit date:2004-08-07
Release date:2005-03-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
To be Published
1VE7
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BU of 1ve7 by Molmil
Crystal structure of an acylpeptide hydrolase/esterase from Aeropyrum pernix K1 in complex with p-nitrophenyl phosphate
Descriptor: 4-NITROPHENYL PHOSPHATE, Acylamino-acid-releasing enzyme, GLYCEROL
Authors:Bartlam, M, Wang, G, Gao, R, Yang, H, Zhao, X, Xie, G, Cao, S, Feng, Y, Rao, Z.
Deposit date:2004-03-27
Release date:2004-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of an acylpeptide hydrolase/esterase from Aeropyrum pernix K1
STRUCTURE, 12, 2004

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