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7WYM
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BU of 7wym by Molmil
Structure of the SARS-COV-2 main protease with 337 inhibitor
Descriptor: 3C-like proteinase nsp5, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
Authors:Qin, B, Hou, P, Gao, X, Cui, S.
Deposit date:2022-02-16
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
7XT3
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BU of 7xt3 by Molmil
Crystal Structure of Hepatitis virus A 2C protein 128-335 aa
Descriptor: Genome polyprotein, PHOSPHATE ION
Authors:Chen, P, Wojdyla, J.A, Li, Z, Wang, M, Cui, S.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA.
Nucleic Acids Res., 50, 2022
7YC2
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BU of 7yc2 by Molmil
Crystal structure of auxiliary protein in complex with human protein
Descriptor: ORF, Protein zyg-11 homolog B
Authors:Gao, X, Cui, S.
Deposit date:2022-06-30
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of auxiliary protein in complex with protein
To Be Published
7CMD
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BU of 7cmd by Molmil
Crystal structure of the SARS-CoV-2 PLpro with GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Gao, X, Cui, S.
Deposit date:2020-07-27
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7CJD
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BU of 7cjd by Molmil
Crystal structure of the SARS-CoV-2 PLpro C111S mutant
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, ZINC ION
Authors:Gao, X, Cui, S.
Deposit date:2020-07-10
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7CDW
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BU of 7cdw by Molmil
Crystal Structure of Mycobacterium Tuberculosis Elongation Factor G1
Descriptor: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE
Authors:Gao, X, Cui, S.
Deposit date:2020-06-20
Release date:2021-09-22
Last modified:2022-02-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Elongation Factor G1.
Front Mol Biosci, 8, 2021
7DHG
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BU of 7dhg by Molmil
Crystal structure of SARS-CoV-2 Orf9b complex with human TOM70
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:Gao, X, Zhu, K, Qin, B, Olieric, V, Wang, M, Cui, S.
Deposit date:2020-11-14
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 Orf9b in complex with human TOM70 suggests unusual virus-host interactions.
Nat Commun, 12, 2021
7EK6
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BU of 7ek6 by Molmil
Structure of viral peptides IPB19/N52
Descriptor: Spike protein S2
Authors:Yu, D, Qin, B, Cui, S, He, Y.
Deposit date:2021-04-04
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.243 Å)
Cite:Structure-based design and characterization of novel fusion-inhibitory lipopeptides against SARS-CoV-2 and emerging variants.
Emerg Microbes Infect, 10, 2021
7E6V
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BU of 7e6v by Molmil
The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa
Descriptor: ACETATE ION, Protein 2C
Authors:Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S.
Deposit date:2021-02-24
Release date:2022-06-29
Last modified:2022-07-20
Method:X-RAY DIFFRACTION (1.832 Å)
Cite:An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein.
Cell Rep, 40, 2022
5XGQ
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BU of 5xgq by Molmil
Crystal structure of apo form (free-state) Mycobacterium tuberculosis methionyl-tRNA synthetase
Descriptor: Methionine-tRNA ligase
Authors:Wang, W, Wang, M, Wojdyla, J.A, Cui, S.
Deposit date:2017-04-15
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism
IUCrJ, 5, 2018
5XKU
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BU of 5xku by Molmil
Crystal structure of hemagglutinin globular head from an H7N9 influenza virus in complex with a neutralizing antibody HNIgGA6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HNIgGA6 heavy chain, HNIgGA6 light chain, ...
Authors:Chen, C, Wang, J, Wang, W, Gao, X, Cui, S, Jin, Q.
Deposit date:2017-05-09
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insight into a Human Neutralizing Antibody against Influenza Virus H7N9
J. Virol., 92, 2018
5XET
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BU of 5xet by Molmil
Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP)
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine--tRNA ligase, ...
Authors:Wang, W, Qin, B, Wojdyla, J.A, Wang, M, Gao, X, Cui, S.
Deposit date:2017-04-06
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism.
IUCrJ, 5, 2018
7F60
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BU of 7f60 by Molmil
Crystal structure of auxiliary protein in complex with human nuclear protein
Descriptor: Nuclear pore complex protein Nup98-Nup96, ORF6 protein, mRNA export factor
Authors:Gao, X, Cui, S.
Deposit date:2021-06-23
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for Sarbecovirus ORF6 mediated blockage of nucleocytoplasmic transport
Nat Commun, 13, 2022
7F90
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BU of 7f90 by Molmil
Crystal structure of SARS auxiliary protein in complex with human nuclear protein
Descriptor: Nuclear pore complex protein Nup98-Nup96, ORF6 protein, mRNA export factor
Authors:Gao, X, Cui, S.
Deposit date:2021-07-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural basis for Sarbecovirus ORF6 mediated blockage of nucleocytoplasmic transport
Nat Commun, 13, 2022
7FEX
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BU of 7fex by Molmil
Crystal structure of Sus scrofa Schlafen11 N-terminal domain (2.69 A)
Descriptor: SLFN11
Authors:Hou, P, Hao, W, Cui, S.
Deposit date:2021-07-22
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural and biochemical characterization of Schlafen11 N-terminal domain.
Nucleic Acids Res., 2023
5YBH
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BU of 5ybh by Molmil
Structural of the highly conserved ATPase from type III secretion system of bacterial pathogens
Descriptor: MAGNESIUM ION, Probable ATP synthase SpaL/MxiB, SULFATE ION
Authors:Mu, Z, Gao, X, Cui, S.
Deposit date:2017-09-05
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
5YBI
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BU of 5ybi by Molmil
Structure of the bacterial pathogens ATPase with substrate AMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
Authors:Mu, Z.X, Gao, X.P, Cui, S.
Deposit date:2017-09-05
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri.
Front Microbiol, 9, 2018
5Z3Q
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BU of 5z3q by Molmil
Crystal Structure of a Soluble Fragment of Poliovirus 2C ATPase (2.55 Angstrom)
Descriptor: PHOSPHATE ION, PV-2C, ZINC ION
Authors:Guan, H, Tian, J, Zhang, C, Qin, B, Cui, S.
Deposit date:2018-01-08
Release date:2018-09-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Crystal structure of a soluble fragment of poliovirus 2CATPase
PLoS Pathog., 14, 2018
5Z0W
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BU of 5z0w by Molmil
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N36)
Descriptor: peptide-C, peptide-N
Authors:Liu, Z.X, Qin, B, Cui, S.
Deposit date:2017-12-21
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Mechanism of HIV-1 Resistance to an Electronically Constrained alpha-Helical Peptide Membrane Fusion Inhibitor
J. Virol., 92, 2018
5ZO1
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BU of 5zo1 by Molmil
Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain (Ig1-Ig3), 2.2A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 4, GLYCEROL
Authors:Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X.
Deposit date:2018-04-12
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZO2
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BU of 5zo2 by Molmil
Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain in complex with mouse nectin-like molecule 1 (mNecl-1) Ig1 domain, 3.3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 3, Cell adhesion molecule 4
Authors:Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X.
Deposit date:2018-04-12
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZT1
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BU of 5zt1 by Molmil
Structure of the bacterial pathogens ATPase with substrate ATP gamma S
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
Authors:Gao, X.P, Mu, Z.X, Cui, S.
Deposit date:2018-05-01
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.114 Å)
Cite:Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
6J7O
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BU of 6j7o by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, guanylyltransferase-like toxin
Authors:Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2019-01-18
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7T
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BU of 6j7t by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A from Mycobacterium tuberculosis
Descriptor: GLYCEROL, MAGNESIUM ION, guanylyltransferase-like toxin
Authors:Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2019-01-18
Release date:2020-05-13
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7R
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BU of 6j7r by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A co-expressed with TakA from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, guanylyltransferase-like toxin
Authors:Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2019-01-18
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020

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