8DIG
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8DIH
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![BU of 8dih by Molmil](/molmil-images/mine/8dih) | Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors | 分子名称: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5 | 著者 | Singh, I, Shoichet, B.K. | 登録日 | 2022-06-29 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
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8DII
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8E1G
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![BU of 8e1g by Molmil](/molmil-images/mine/8e1g) | SARS-CoV-2 RBD in complex with Omicron-neutralizing antibody 2A10 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2A10 Fab, heavy chain, ... | 著者 | Wasserman, H, Hastie, K.M, Buck, T.K, Saphire, E.O. | 登録日 | 2022-08-10 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence. Cell Rep, 42, 2023
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8GOU
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![BU of 8gou by Molmil](/molmil-images/mine/8gou) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-25 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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8GPY
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![BU of 8gpy by Molmil](/molmil-images/mine/8gpy) | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | 分子名称: | Spike protein S1, scFv | 著者 | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | 登録日 | 2022-08-27 | 公開日 | 2023-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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8SMT
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![BU of 8smt by Molmil](/molmil-images/mine/8smt) | Crystal structure of antibody WRAIR-2134 in complex with SARS-CoV-2 receptor binding domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2134 Fab heavy chain, ... | 著者 | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | 登録日 | 2023-04-26 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | 主引用文献 | Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain. Structure, 32, 2024
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7YC5
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7YCO
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8CIM
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![BU of 8cim by Molmil](/molmil-images/mine/8cim) | BA.2-07 FAB IN COMPLEX WITH SARS-COV-2 BA.2.12.1 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, BA.2-07 FAB HEAVY CHAIN, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E. | 登録日 | 2023-02-10 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Isolation of a pair of potent broadly neutralizing mAb binding to RBD and SD1 domains of SARS-CoV-2 Res Sq, 2023
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8DID
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8ELO
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8ELP
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![BU of 8elp by Molmil](/molmil-images/mine/8elp) | |
8ELQ
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![BU of 8elq by Molmil](/molmil-images/mine/8elq) | |
7XD2
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7Y1Y
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![BU of 7y1y by Molmil](/molmil-images/mine/7y1y) | S-ECD (Omicron BA.2) in complex with PD of 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, Processed angiotensin-converting enzyme 2, ... | 著者 | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | 登録日 | 2022-06-09 | 公開日 | 2023-07-12 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants. Viruses, 15, 2023
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7Y1Z
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![BU of 7y1z by Molmil](/molmil-images/mine/7y1z) | S-ECD (Omicron BA.3) in complex with three PD of 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, Processed angiotensin-converting enzyme 2, ... | 著者 | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | 登録日 | 2022-06-09 | 公開日 | 2023-07-12 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants. Viruses, 15, 2023
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7Y8J
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7YBI
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![BU of 7ybi by Molmil](/molmil-images/mine/7ybi) | SARS-CoV-2 Mu variant spike (open state) | 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 | Wang, X, Fu, W. | 登録日 | 2022-06-29 | 公開日 | 2023-07-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
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7YBJ
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![BU of 7ybj by Molmil](/molmil-images/mine/7ybj) | SARS-CoV-2 Mu variant spike(close state) | 分子名称: | Spike glycoprotein | 著者 | Wang, X, Fu, W. | 登録日 | 2022-06-29 | 公開日 | 2023-07-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | 主引用文献 | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
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7YD1
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8GFK
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8GFN
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![BU of 8gfn by Molmil](/molmil-images/mine/8gfn) | Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with BBH1 | 分子名称: | (1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Kovalevsky, A, Coates, L. | 登録日 | 2023-03-08 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
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8GFO
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8GFR
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![BU of 8gfr by Molmil](/molmil-images/mine/8gfr) | Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with NBH2 | 分子名称: | (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Kovalevsky, A, Coates, L. | 登録日 | 2023-03-08 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
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