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8JKN
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BU of 8jkn by Molmil
T95R mutant IRF4 DNA-binding domain bound to an DNA containing GAAA motif
Descriptor: GAAA-Forward, GAAA-Reverse, Interferon regulatory factor 4
Authors:Wang, G, Feng, X, Ding, J.
Deposit date:2023-06-01
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Molecular basis for the functional roles of the multimorphic T95R mutation of IRF4 causing human autosomal dominant combined immunodeficiency.
Structure, 31, 2023
8JKO
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BU of 8jko by Molmil
T95R mutant IRF4 DNA-binding domain bound to an DNA containing GATA motif
Descriptor: GATA-Forward, GATA-Reverse, Interferon regulatory factor 4
Authors:Wang, G, Feng, X, Ding, J.
Deposit date:2023-06-01
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular basis for the functional roles of the multimorphic T95R mutation of IRF4 causing human autosomal dominant combined immunodeficiency.
Structure, 31, 2023
8JKL
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BU of 8jkl by Molmil
IRF4 DNA-binding domain bound to an DNA containing GATA motif
Descriptor: GATA-Forward, GATA-Reverse, Interferon regulatory factor 4
Authors:Wang, G, Feng, X, Ding, J.
Deposit date:2023-06-01
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Molecular basis for the functional roles of the multimorphic T95R mutation of IRF4 causing human autosomal dominant combined immunodeficiency.
Structure, 31, 2023
8JKQ
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BU of 8jkq by Molmil
T95R mutant IRF4 DNA-binding domain bound to an DNA containing GACA motif
Descriptor: GACA-Forward, GACA-Reverse, Interferon regulatory factor 4
Authors:Wang, G, Feng, X, Ding, J.
Deposit date:2023-06-01
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Molecular basis for the functional roles of the multimorphic T95R mutation of IRF4 causing human autosomal dominant combined immunodeficiency.
Structure, 31, 2023
8JKS
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BU of 8jks by Molmil
T95R mutant IRF4 DNA-binding domain bound to an DNA containing GAGA motif
Descriptor: GAGA-Forward, GAGA-Reverse, Interferon regulatory factor 4
Authors:Wang, G, Feng, X, Ding, J.
Deposit date:2023-06-01
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular basis for the functional roles of the multimorphic T95R mutation of IRF4 causing human autosomal dominant combined immunodeficiency.
Structure, 31, 2023
2LMF
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BU of 2lmf by Molmil
Solution structure of human LL-23 bound to membrane-mimetic micelles
Descriptor: Antibacterial protein LL-37
Authors:Wang, G.
Deposit date:2011-11-30
Release date:2011-12-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, Dynamics, and Antimicrobial and Immune Modulatory Activities of Human LL-23 and Its Single-Residue Variants Mutated on the Basis of Homologous Primate Cathelicidins.
Biochemistry, 51, 2012
2K6O
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BU of 2k6o by Molmil
Human LL-37 Structure
Descriptor: Cathelicidin antimicrobial peptide
Authors:Wang, G.
Deposit date:2008-07-14
Release date:2008-09-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structures of human host defense cathelicidin LL-37 and its smallest antimicrobial peptide KR-12 in lipid micelles
J.Biol.Chem., 283, 2008
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
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
1VM2
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BU of 1vm2 by Molmil
Solution structure of an anticancer peptide designed based on the N-terminal sequence of E. coli enzyme IIA (Glucose)
Descriptor: peptide A2
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1VM4
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BU of 1vm4 by Molmil
Solution structure of an antibacterial and antitumor peptide designed based on the N-terminal membrane anchor of E. coli enzyme IIA (Glucose)
Descriptor: peptide A4
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1VM3
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BU of 1vm3 by Molmil
Solution structure of a membrane-targeting peptide designed based on the N-terminal sequence of E. coli enzyme IIA (Glucose)
Descriptor: peptide A3
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1VM5
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BU of 1vm5 by Molmil
Solution structure of micelle-bound aurein 1.2, an antimicrobial and anticancer peptide from an Australian frog
Descriptor: peptide A5 or aurein 1.2
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
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
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: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
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
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:2024-10-16
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
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
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
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

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