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8IV8
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BU of 8iv8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement)
Descriptor: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
Authors:Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
Deposit date:2023-03-26
Release date:2023-08-16
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IVA
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BU of 8iva by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
Authors:Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
Deposit date:2023-03-26
Release date:2023-08-16
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV4
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BU of 8iv4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
Authors:Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
Deposit date:2023-03-26
Release date:2023-08-16
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
1HRI
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BU of 1hri by Molmil
STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Descriptor: 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
Authors:Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
4J3J
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BU of 4j3j by Molmil
Crystal Structure of DPP-IV with Compound C3
Descriptor: Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Authors:Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
Deposit date:2013-02-05
Release date:2014-02-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors
Chemmedchem, 8, 2013
6DXL
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BU of 6dxl by Molmil
Linked amidobenzimidazole STING agonist
Descriptor: 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein
Authors:Concha, N.O.
Deposit date:2018-06-29
Release date:2018-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
8GY1
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BU of 8gy1 by Molmil
Crystal structure of Ag+ binding to Dendrorhynchus zhejiangensis ferritin
Descriptor: Ferritin, GLYCEROL, SILVER ION
Authors:Ming, T.H, Su, X.R, Huo, C.H.
Deposit date:2022-09-21
Release date:2023-03-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin.
Polymers (Basel), 15, 2023
8HCT
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BU of 8hct by Molmil
Crystal structure of Cu2+ binding to Dendrorhynchus zhejiangensis ferritin
Descriptor: COPPER (II) ION, FE (III) ION, Ferritin, ...
Authors:Ming, T.H, Su, X.R, Huo, C.H.
Deposit date:2022-11-03
Release date:2023-03-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin.
Polymers (Basel), 15, 2023
1JXP
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BU of 1jxp by Molmil
BK STRAIN HEPATITIS C VIRUS (HCV) NS3-NS4A
Descriptor: NS3 SERINE PROTEASE, NS4A, ZINC ION
Authors:Yan, Y, Munshi, S, Chen, Z.
Deposit date:1997-08-21
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
7ZJS
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BU of 7zjs by Molmil
Structural basis of centromeric cohesion protection by SGO1
Descriptor: Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Shugoshin 1
Authors:Patel, A, Panne, D.
Deposit date:2022-04-11
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural basis of centromeric cohesion protection.
Nat.Struct.Mol.Biol., 30, 2023
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-11-18
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
6AN4
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BU of 6an4 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F)
Descriptor: ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2017-08-12
Release date:2018-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
8HQN
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BU of 8hqn by Molmil
Activation mechanism of GPR132 by 9(S)-HODE
Descriptor: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, 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:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQM
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BU of 8hqm by Molmil
Activation mechanism of GPR132 by NPGLY
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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQE
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BU of 8hqe by Molmil
Cryo-EM structure of the apo-GPR132-Gi
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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
Descriptor: DRVIA7 Heavy Chain, DRVIA7 Light Chain
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-02
Release date:2016-04-06
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
6AN6
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BU of 6an6 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2017-08-12
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
Descriptor: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
Authors:Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
Deposit date:2023-03-31
Release date:2023-11-15
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
4XT9
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BU of 4xt9 by Molmil
RORgamma (263-509) complexed with GSK2435341A and SRC2
Descriptor: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Wang, Y, Ma, Y.
Deposit date:2015-01-23
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
4Y7J
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BU of 4y7j by Molmil
Structure of an archaeal mechanosensitive channel in expanded state
Descriptor: Large conductance mechanosensitive channel protein,Riboflavin synthase, nonyl beta-D-glucopyranoside
Authors:Li, J, Liu, Z.
Deposit date:2015-02-15
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Mechanical coupling of the multiple structural elements of the large-conductance mechanosensitive channel during expansion
Proc.Natl.Acad.Sci.USA, 112, 2015
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
5GXH
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BU of 5gxh by Molmil
The structure of the Gemin5 WD40 domain with AAUUUUUG
Descriptor: GLYCEROL, Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*G)-3'), ...
Authors:Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-17
Release date:2016-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
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

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数据于2024-10-16公开中

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