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8EKE
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Cryo-EM structure of SARS CoV-2 Mpro WT protease
分子名称: 3C-like proteinase nsp5
著者Narwal, M, Edwards, T, Armache, J.P, Murakami, K.S.
登録日2022-09-20
公開日2023-04-26
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献SARS-CoV-2 polyprotein substrate regulates the stepwise M pro cleavage reaction.
J.Biol.Chem., 299, 2023
8OKL
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Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKM
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Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKK
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Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKN
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Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2023-03-28
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
7UW3
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Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain
分子名称: Nucleoprotein
著者Calero, G.
登録日2022-05-02
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic-Resolution Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain.
J.Am.Chem.Soc., 144, 2022
8CSJ
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Cryo-EM structure of NTD-directed non-neutralizing antibody 4-33 in complex with prefusion SARS-CoV-2 spike glycoprotein
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-(2-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-05-12
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structure of NTD-directed non-neutralizing antibody 4-33 in complex with prefusion SARS-CoV-2 spike glycoprotein
To Be Published
8GIA
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Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate
著者Wallace, S.D, Bagde, S.R, Fromme, J.C.
登録日2023-03-13
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain.
Acs Chem.Biol., 18, 2023
8DL9
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Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z199538122
分子名称: 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase
著者Kovalevsky, A.Y, Coates, L, Kneller, D.W.
登録日2022-07-07
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DLB
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Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083
分子名称: 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase
著者Kovalevsky, A.Y, Coates, L, Kneller, D.W.
登録日2022-07-07
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8DMD
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Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound ZZ4461624291
分子名称: 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase
著者Kovalevsky, A, Coates, L, Kneller, D.W.
登録日2022-07-08
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
8HN6
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Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
8HN7
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Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ...
著者Qi, J, Chen, Y.
登録日2022-12-07
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
8BSE
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BU of 8bse by Molmil
CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab
分子名称: 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
8BSF
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CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
8GB6
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 21B6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 21B6 Heavy chain, 21B6 Light chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB7
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 20A7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, 20A7 Light chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB8
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Crystal structure of SARS-CoV-2 BA.2 receptor binding domain in complex with neutralizing antibody 20A7
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB5
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 25F9
分子名称: 25F9 Heavy chain, 25F9 Light chain, BICINE, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8SPJ
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BU of 8spj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
分子名称: 3C-like proteinase nsp5
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-05-03
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
To Be Published
8DNN
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Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
著者Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
登録日2022-07-11
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
7XMN
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Structure of SARS-CoV-2 ORF8
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ...
著者Chen, X, Xu, W.
登録日2022-04-26
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
8H08
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SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8D4P
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
分子名称: 2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide, 3C-like proteinase
著者Butler, S.G, Chen, Y, Wang, J.
登録日2022-06-02
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
To Be Published

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件を2024-07-17に公開中

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