PDB: 2123 件ウェブページステータス検索Chemie searchBIRD

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7S6Y	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S6Z	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S74	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38 分子名称: 3C-like proteinase, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S73	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 分子名称: (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S70	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S6I	SARS-CoV-2-6P-Mut2 S protein 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 Ozorowski, G, Torres, J.L, Ward, A.B. 登録日 2021-09-14 公開日 2022-05-11 最終更新日 2022-05-25 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody. Proc.Natl.Acad.Sci.USA, 119, 2022
7S6J	J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 1) 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, J08 fragment antigen binding heavy chain variable domain, ... 著者 Ozorowski, G, Torres, J.L, Ward, A.B. 登録日 2021-09-14 公開日 2022-05-11 最終更新日 2022-05-25 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody. Proc.Natl.Acad.Sci.USA, 119, 2022
7S6L	J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (conformation 3) 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, J08 fragment antigen binding heavy chain variable domain, ... 著者 Ozorowski, G, Torres, J.L, Ward, A.B. 登録日 2021-09-14 公開日 2022-05-11 最終更新日 2022-05-25 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody. Proc.Natl.Acad.Sci.USA, 119, 2022
7S6K	J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 2) 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, J08 fragment antigen binding heavy chain variable domain, ... 著者 Ozorowski, G, Torres, J.L, Ward, A.B. 登録日 2021-09-14 公開日 2022-05-11 最終更新日 2024-10-09 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody. Proc.Natl.Acad.Sci.USA, 119, 2022
7S5Q	Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibodies CS44 and COVA1-16 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ... 著者 Yuan, M, Wilson, I.A. 登録日 2021-09-11 公開日 2022-03-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies. Science, 375, 2022
7S5R	Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibodies CV07-287 and COVA1-16 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ... 著者 Yuan, M, Wilson, I.A. 登録日 2021-09-11 公開日 2022-03-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies. Science, 375, 2022
7S5P	Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibody CS23 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CS23 Heavy chain, ... 著者 Yuan, M, Wilson, I.A. 登録日 2021-09-11 公開日 2022-03-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.86 Å) 主引用文献 SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies. Science, 375, 2022
7S4S	Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CoV11 heavy chain, ... 著者 Tolbert, W.D, Pazgier, M. 登録日 2021-09-09 公開日 2021-09-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11. Front Immunol, 14, 2023
7S4B	Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963 分子名称: (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide, 3C-like proteinase 著者 Kovalevsky, A, Kneller, D.W, Coates, L. 登録日 2021-09-08 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor. Acs Pharmacol Transl Sci, 5, 2022
7S3S	Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813 分子名称: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase 著者 Kovalevsky, A, Kneller, D.W, Coates, L. 登録日 2021-09-08 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor. Acs Pharmacol Transl Sci, 5, 2022
7S3K	Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530718726 分子名称: 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase 著者 Kovalevsky, A, Kneller, D.W, Coates, L. 登録日 2021-09-07 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor. Acs Pharmacol Transl Sci, 5, 2022
7S0E	Structure of the SARS-CoV-2 S1 subunit in complex with antibody N-612-004 分子名称: N-612-004 Fab heavy chain, N-612-004 Light Chain, Spike glycoprotein 著者 Barnes, C.O, Bjorkman, P.J. 登録日 2021-08-30 公開日 2021-10-06 最終更新日 2022-03-16 実験手法 ELECTRON MICROSCOPY (4.9 Å) 主引用文献 Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display. Cell Rep, 38, 2022
7S0D	Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody N-612-014 分子名称: N-612-014 Fab Heavy Chain, N-612-014 Light Chain, Spike glycoprotein 著者 Barnes, C.O, Bjorkman, P.J. 登録日 2021-08-30 公開日 2021-10-06 最終更新日 2022-03-16 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display. Cell Rep, 38, 2022
7S0B	Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-056 Fab Heavy Chain, N-612-056 Light Chain, ... 著者 Tanaka, S, Barnes, C.O, Bjorkman, P.J. 登録日 2021-08-30 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display. Cell Rep, 38, 2022
7S0C	Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody N-612-017 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, N-612-017 Fab Heavy Chain, ... 著者 Barnes, C.O, Bjorkman, P.J. 登録日 2021-08-30 公開日 2021-10-06 最終更新日 2024-10-09 実験手法 ELECTRON MICROSCOPY (3.25 Å) 主引用文献 Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display. Cell Rep, 38, 2022
7VAH	The crystal structure of COVID-19 main protease in H41A mutation 分子名称: 3C-like proteinase 著者 Liu, X, Zhao, Y, Yang, H, Rao, Z. 登録日 2021-08-29 公開日 2022-04-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.491 Å) 主引用文献 Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
7RZC	Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor 分子名称: (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2021-08-27 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor To be Published
7RZU	Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation 分子名称: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2' 著者 Yang, K, Brunger, A.T. 登録日 2021-08-27 公開日 2022-04-06 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.3 Å) 主引用文献 Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle. Proc.Natl.Acad.Sci.USA, 119, 2022
7RZS	Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation 分子名称: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2' 著者 Yang, K, Brunger, A.T. 登録日 2021-08-27 公開日 2022-04-06 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.52 Å) 主引用文献 Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle. Proc.Natl.Acad.Sci.USA, 119, 2022
7RZR	Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation 分子名称: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2' 著者 Yang, K, Brunger, A.T. 登録日 2021-08-27 公開日 2022-04-06 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.27 Å) 主引用文献 Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle. Proc.Natl.Acad.Sci.USA, 119, 2022

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