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7JRN
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Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
7JMP
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-39
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-39 heavy chain, COVA2-39 light chain, ...
著者Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A.
登録日2020-08-02
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.712 Å)
主引用文献An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain.
Cell Rep, 33, 2020
7CN9
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Cryo-EM structure of SARS-CoV-2 Spike ectodomain
分子名称: 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, ...
著者Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C.
登録日2020-07-30
公開日2020-08-26
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2.
Cell Rep, 32, 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
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
著者Mesecar, A.D, StJohn, S, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-18
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
7JJI
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BU of 7jji by Molmil
Structure of SARS-CoV-2 3Q-2P full-length prefusion spike trimer (C3 symmetry)
分子名称: 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, ...
著者Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
登録日2020-07-26
公開日2020-08-26
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
7JJJ
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Structure of SARS-CoV-2 3Q-2P full-length dimers of spike trimers
分子名称: 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, ...
著者Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
登録日2020-07-26
公開日2020-08-26
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
7JTL
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Structure of SARS-CoV-2 ORF8 accessory protein
分子名称: ORF8 protein, SODIUM ION
著者Flower, T.G, Buffalo, C.Z, Hooy, R.M, Allaire, M, Ren, X, Hurley, J.H.
登録日2020-08-18
公開日2020-08-26
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of SARS-CoV-2 ORF8, a rapidly evolving immune evasion protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JUN
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BU of 7jun by Molmil
Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature
分子名称: 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2020-08-20
公開日2020-09-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J.Biol.Chem., 295, 2020
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)
分子名称: 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
著者Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-06-15
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
7CBT
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BU of 7cbt by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Shi, Y, Peng, G.
登録日2020-06-13
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献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
7C6S
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BU of 7c6s by Molmil
Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Fu, L, Feng, Y.
登録日2020-05-22
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
登録日2020-05-08
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Fu, L, Feng, Y, Qi, J, Gao, F.G.
登録日2020-05-22
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7CMD
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BU of 7cmd by Molmil
Crystal structure of the SARS-CoV-2 PLpro with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Gao, X, Cui, S.
登録日2020-07-27
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7C8D
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BU of 7c8d by Molmil
Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD
分子名称: Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION
著者Gao, G.F, Wang, Q.H, Wu, L.l.
登録日2020-05-29
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2.
Cell Discov, 6, 2020
7CJD
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BU of 7cjd by Molmil
Crystal structure of the SARS-CoV-2 PLpro C111S mutant
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, ZINC ION
著者Gao, X, Cui, S.
登録日2020-07-10
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献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
分子名称: Nucleoprotein
著者Peng, Y, Song, H, Qi, J, Gao, G.F.
登録日2020-06-21
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Nucleoprotein
著者Peng, Y, Qi, J, Song, H, Gao, G.F.
登録日2020-06-21
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of the SARS-CoV-2 nucleocapsid and their perspectives for drug design.
Embo J., 39, 2020
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Fu, Z, Huang, H.
登録日2020-07-11
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
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
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Non-structural protein 3
著者Vuksanovic, N, Melkonian, T.R, Silvaggi, N.R.
登録日2020-07-31
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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)
分子名称: 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
著者Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-06-15
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6M56
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BU of 6m56 by Molmil
Solution NMR Structure of Peptide P9R
分子名称: Peptide P9R
著者Yuen, K.Y, Zhao, H.J, Yung, T.M, Sze, K.H.
登録日2020-03-10
公開日2020-09-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A broad-spectrum virus- and host-targeting peptide against respiratory viruses including influenza virus and SARS-CoV-2.
Nat Commun, 11, 2020
7JYC
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
分子名称: (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, ...
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-08-30
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7JU7
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The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-08-19
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
7CHF
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BU of 7chf by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-604 Fab and BD-368-2 Fab
分子名称: BD-368-2 Fab heavy chain, BD-368-2 Fab light chain, BD-604 Fab heavy chain, ...
著者Xiao, J, Zhu, Q.
登録日2020-07-05
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.674 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020

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件を2024-07-17に公開中

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