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7NBT
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Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21
分子名称: 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2021-01-27
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7VXM
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SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C3 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-11-12
公開日2022-01-12
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7NEO
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BU of 7neo by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15
分子名称: 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Talibov, V.O.
登録日2021-02-04
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7WBQ
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Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Qi, J, Han, P.
登録日2021-12-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBP
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Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with its receptor human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Qi, J, Han, P.
登録日2021-12-17
公開日2022-01-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBL
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Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Liu, S, Gao, F.G.
登録日2021-12-17
公開日2022-01-19
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7NIJ
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SARS-CoV-2 main protease (Mpro) in a novel conformational state.
分子名称: 3C-like proteinase nsp5
著者Battistutta, R, Fornasier, E, Giachin, G.
登録日2021-02-12
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A new inactive conformation of SARS-CoV-2 main protease.
Acta Crystallogr D Struct Biol, 78, 2022
7WEV
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SARS-COV-2 BETA VARIANT SPIKE PROTEIN IN TRANSITION STATE
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2021-12-24
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
7MXP
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Cryo-EM structure of NTD-directed neutralizing antibody LP5 Fab in complex with SARS-CoV-2 S2P spike
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)][beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Casner, R.G, Shapiro, L.
登録日2021-05-19
公開日2022-05-25
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.46 Å)
主引用文献Antibody screening at reduced pH enables preferential selection of potently neutralizing antibodies targeting SARS-CoV-2.
Aiche J, 67, 2021
7WS6
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Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 510A5 heavy chain, 510A5 light chain, Spike protein S1
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WSA
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Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS2
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BU of 7ws2 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 510A5 heavy chain, 510A5 light chain, Spike protein S1
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS8
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BU of 7ws8 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, Processed angiotensin-converting enzyme 2, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS0
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BU of 7ws0 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS7
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BU of 7ws7 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 510A5 heavy chain, 510A5 light chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS9
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BU of 7ws9 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, Processed angiotensin-converting enzyme 2, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS4
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BU of 7ws4 by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS3
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BU of 7ws3 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS5
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BU of 7ws5 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS1
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BU of 7ws1 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7TLT
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BU of 7tlt by Molmil
SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Murdolo, L.D, Szeto, C, Gras, S.
登録日2022-01-18
公開日2022-10-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3.
Nat Commun, 13, 2022
7N44
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BU of 7n44 by Molmil
Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13)
分子名称: 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
著者Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2021-06-03
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Acs Med.Chem.Lett., 12, 2021
7N1B
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BU of 7n1b by Molmil
SARS-CoV-2 RLQ peptide binds to HLA-A2
分子名称: Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ...
著者Wu, D, Mariuzza, R.A.
登録日2021-05-27
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
7N1A
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BU of 7n1a by Molmil
SARS-CoV-2 YLQ peptide binds to HLA-A2
分子名称: Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ...
著者Wu, D, Mariuzza, R.A.
登録日2021-05-27
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.065 Å)
主引用文献Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
7N1C
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BU of 7n1c by Molmil
SARS-CoV-2 RLQ peptide-specific TCR pRLQ3
分子名称: pRLQ3 T cell receptor alpha chain, pRLQ3 T cell receptor beta chain
著者Wu, D, Mariuzza, R.A.
登録日2021-05-27
公開日2021-07-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022

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