8FWX
 
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8I4S
 | | the complex structure of SARS-CoV-2 Mpro with D8 | | 分子名称: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | | 著者 | Lu, M. | | 登録日 | 2023-01-21 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
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8C8P
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8C89
 | | SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab) | | 分子名称: | 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G. | | 登録日 | 2023-01-19 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4.41 Å) | | 主引用文献 | A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity.
Nat Commun, 15, 2024
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8I3U
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ... | | 著者 | Li, Z, Yu, F, Cao, S. | | 登録日 | 2023-01-18 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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8I3S
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | | 著者 | Li, Z, Yu, F, Cao, S, ZHao, H. | | 登録日 | 2023-01-17 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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8I30
 | | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | | 分子名称: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | 登録日 | 2023-01-16 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
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8FTL
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | | 分子名称: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | | 著者 | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | | 登録日 | 2023-01-12 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1
To Be Published
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8C5R
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8HWT
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8HWS
 | | The complex structure of Omicron BA.4 RBD with BD604, S309, and S304 | | 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, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ... | | 著者 | He, Q.W, Xu, Z.P, Xie, Y.F. | | 登録日 | 2023-01-02 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (2.36 Å) | | 主引用文献 | An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
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8HVU
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8HVX
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8HVV
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8HVY
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8HVZ
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8HVW
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8C24
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8C26
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8HTV
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | | 分子名称: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | | 著者 | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2022-12-21 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group.
J.Med.Chem., 66, 2023
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8C1V
 | | SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map | | 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, Sb92, ... | | 著者 | Huiskonen, J.T, Rissanen, I, Hannula, L. | | 登録日 | 2022-12-21 | | 公開日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants.
Nat Commun, 14, 2023
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8C1A
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8C19
 | | SARS-CoV-2 NSP3 macrodomain in complex with 1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine | | 分子名称: | 1,2-ETHANEDIOL, Non-structural protein 3, [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone | | 著者 | Schuller, M, Ahel, I. | | 登録日 | 2022-12-20 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors.
Pathogens, 12, 2023
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8FIV
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8FIW
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221 | | 分子名称: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | | 著者 | Sacco, M, Wang, J, Chen, Y. | | 登録日 | 2022-12-16 | | 公開日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
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