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7JJI
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BU of 7jji by Molmil
Structure of SARS-CoV-2 3Q-2P full-length prefusion spike trimer (C3 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
Authors:Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
Deposit date:2020-07-26
Release date:2020-08-26
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
6M39
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BU of 6m39 by Molmil
Cryo-EM structure of SADS-CoV spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ouyang, S, Hongxin, G.
Deposit date:2020-03-03
Release date:2020-08-26
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Cryo-electron Microscopy Structure of the Swine Acute Diarrhea Syndrome Coronavirus Spike Glycoprotein Provides Insights into Evolution of Unique Coronavirus Spike Proteins.
J.Virol., 94, 2020
6W79
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BU of 6w79 by Molmil
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
Authors:Mesecar, A.D, StJohn, S, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-18
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
7JTL
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BU of 7jtl by Molmil
Structure of SARS-CoV-2 ORF8 accessory protein
Descriptor: ORF8 protein, SODIUM ION
Authors:Flower, T.G, Buffalo, C.Z, Hooy, R.M, Allaire, M, Ren, X, Hurley, J.H.
Deposit date:2020-08-18
Release date:2020-08-26
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of SARS-CoV-2 ORF8, a rapidly evolving immune evasion protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CN9
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BU of 7cn9 by Molmil
Cryo-EM structure of SARS-CoV-2 Spike ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C.
Deposit date:2020-07-30
Release date:2020-08-26
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2.
Cell Rep, 32, 2020
7C6S
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BU of 7c6s by Molmil
Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Fu, L, Feng, Y.
Deposit date:2020-05-22
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7CBT
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BU of 7cbt by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Shi, Y, Peng, G.
Deposit date:2020-06-13
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.346 Å)
Cite:The preclinical inhibitor GS441524 in combination with GC376 efficaciously inhibited the proliferation of SARS-CoV-2 in the mouse respiratory tract.
Emerg Microbes Infect, 10, 2021
6XF5
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BU of 6xf5 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
7JME
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BU of 7jme by Molmil
Structure of the SARS-CoV-2 NSP3 Macro X domain in complex with cyclic AMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Non-structural protein 3
Authors:Vuksanovic, N, Melkonian, T.R, Silvaggi, N.R.
Deposit date:2020-07-31
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Drug-Like Ligands for the Mac1 Domain of SARS-CoV-2 Nsp3.
Slas Discov, 25, 2020
6XF6
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BU of 6xf6 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
7JUN
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BU of 7jun by Molmil
Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature
Descriptor: 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2020-08-20
Release date:2020-09-02
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J.Biol.Chem., 295, 2020
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Fu, Z, Huang, H.
Deposit date:2020-07-11
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
Descriptor: 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
Deposit date:2020-05-08
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
7C6U
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BU of 7c6u by Molmil
Crystal structure of SARS-CoV-2 complexed with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Fu, L, Feng, Y, Qi, J, Gao, F.G.
Deposit date:2020-05-22
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7C8D
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BU of 7c8d by Molmil
Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD
Descriptor: Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION
Authors:Gao, G.F, Wang, Q.H, Wu, L.l.
Deposit date:2020-05-29
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2.
Cell Discov, 6, 2020
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
7CDZ
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BU of 7cdz by Molmil
Crystal structure of 2019-nCoV nucleocapsid N-terminal domain (NTD) protein
Descriptor: Nucleoprotein
Authors:Peng, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2020-06-21
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the SARS-CoV-2 nucleocapsid and their perspectives for drug design.
Embo J., 39, 2020
7CE0
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BU of 7ce0 by Molmil
Crystal structure of 2019-nCoV nucleocapsid C-terminal domain (CTD) protein
Descriptor: Nucleoprotein
Authors:Peng, Y, Qi, J, Song, H, Gao, G.F.
Deposit date:2020-06-21
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of the SARS-CoV-2 nucleocapsid and their perspectives for drug design.
Embo J., 39, 2020
7JYC
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BU of 7jyc by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
Descriptor: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2020-08-30
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
6M56
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BU of 6m56 by Molmil
Solution NMR Structure of Peptide P9R
Descriptor: Peptide P9R
Authors:Yuen, K.Y, Zhao, H.J, Yung, T.M, Sze, K.H.
Deposit date:2020-03-10
Release date:2020-09-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A broad-spectrum virus- and host-targeting peptide against respiratory viruses including influenza virus and SARS-CoV-2.
Nat Commun, 11, 2020
7JU7
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BU of 7ju7 by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-08-19
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CH5
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BU of 7ch5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab
Descriptor: BD-629 Fab H, BD-629 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7JVZ
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BU of 7jvz by Molmil
SARS CoV-2 MAIN PROTEASE 3CLpro, ROOM TEMPERATURE, DAMAGE FREE XFEL MONOCLINIC STRUCTURE
Descriptor: 3C-like proteinase
Authors:Schmidt, M, Malla, T.
Deposit date:2020-08-24
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS CoV-2 MAIN PROTEASE 3CLpro, ROOM TEMPERATURE, DAMAGE FREE XFEL MONOCLINIC STRUCTURE
To Be Published

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