8TV7
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![BU of 8tv7 by Molmil](/molmil-images/mine/8tv7) | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | 分子名称: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | 著者 | Wazir, S, Maksimainen, M, Lehtio, L. | 登録日 | 2023-08-17 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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8UD2
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![BU of 8ud2 by Molmil](/molmil-images/mine/8ud2) | SARS-CoV-2 Nsp15, apo-form | 分子名称: | Non-structural protein 15 | 著者 | Ito, F, Yang, H, Zhou, Z.H, Chen, X.S. | 登録日 | 2023-09-28 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.33 Å) | 主引用文献 | Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15. Protein Cell, 15, 2024
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8UD3
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![BU of 8ud3 by Molmil](/molmil-images/mine/8ud3) | SARS-CoV-2 Nsp15 bound to poly(A/U) RNA, consensus form | 分子名称: | Non-structural protein 15, RNA (35-MER) | 著者 | Ito, F, Yang, H, Zhou, Z.H, Chen, X.S. | 登録日 | 2023-09-28 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15. Protein Cell, 15, 2024
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8UD4
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![BU of 8ud4 by Molmil](/molmil-images/mine/8ud4) | SARS-CoV-2 Nsp15 bound to poly(A/U) RNA, state 1 | 分子名称: | Non-structural protein 15, RNA (35-MER) | 著者 | Ito, F, Yang, H, Zhou, Z.H, Chen, X.S. | 登録日 | 2023-09-28 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15. Protein Cell, 15, 2024
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8UD5
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![BU of 8ud5 by Molmil](/molmil-images/mine/8ud5) | SARS-CoV-2 Nsp15 bound to poly(A/U) RNA, state 2 | 分子名称: | Non-structural protein 15, RNA (35-MER) | 著者 | Ito, F, Yang, H, Zhou, Z.H, Chen, X.S. | 登録日 | 2023-09-28 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.13 Å) | 主引用文献 | Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15. Protein Cell, 15, 2024
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8WMD
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![BU of 8wmd by Molmil](/molmil-images/mine/8wmd) | Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-2 state) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K. | 登録日 | 2023-10-03 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant. Microbiol Immunol, 2024
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8WMF
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![BU of 8wmf by Molmil](/molmil-images/mine/8wmf) | Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-1 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, Spike glycoprotein | 著者 | Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K. | 登録日 | 2023-10-03 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | 主引用文献 | Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant. Microbiol Immunol, 2024
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8XEA
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![BU of 8xea by Molmil](/molmil-images/mine/8xea) | |
8XI6
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![BU of 8xi6 by Molmil](/molmil-images/mine/8xi6) | SARS-CoV-2 Omicron BQ.1.1 Variant Spike Protein Complexed with MO11 Fab | 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 | Ishimaru, H, Nishimura, M, Shigematsu, H, Marini, M.I, Hasegawa, N, Takamiya, R, Iwata, S, Mori, Y. | 登録日 | 2023-12-19 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Epitopes of an antibody that neutralizes a wide range of SARS-CoV-2 variants in a conserved subdomain 1 of the spike protein. J.Virol., 98, 2024
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9ARQ
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![BU of 9arq by Molmil](/molmil-images/mine/9arq) | Crystal structure of SARS-CoV-2 main protease (authentic protein) in complex with an inhibitor TKB-245 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | 登録日 | 2024-02-23 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9ARS
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![BU of 9ars by Molmil](/molmil-images/mine/9ars) | Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H. | 登録日 | 2024-02-23 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9ART
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![BU of 9art by Molmil](/molmil-images/mine/9art) | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 5h | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | 登録日 | 2024-02-23 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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9AVQ
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![BU of 9avq by Molmil](/molmil-images/mine/9avq) | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | 登録日 | 2024-03-04 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published
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8J36
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![BU of 8j36 by Molmil](/molmil-images/mine/8j36) | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231 | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | 登録日 | 2023-04-16 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
M49I mutant in complex with PF00835231 To Be Published
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8P54
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![BU of 8p54 by Molmil](/molmil-images/mine/8p54) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P55
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![BU of 8p55 by Molmil](/molmil-images/mine/8p55) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P56
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![BU of 8p56 by Molmil](/molmil-images/mine/8p56) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P57
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![BU of 8p57 by Molmil](/molmil-images/mine/8p57) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P58
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![BU of 8p58 by Molmil](/molmil-images/mine/8p58) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5A
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![BU of 8p5a by Molmil](/molmil-images/mine/8p5a) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5B
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![BU of 8p5b by Molmil](/molmil-images/mine/8p5b) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-23 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P86
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![BU of 8p86 by Molmil](/molmil-images/mine/8p86) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-31 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P87
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![BU of 8p87 by Molmil](/molmil-images/mine/8p87) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-31 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8SH6
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![BU of 8sh6 by Molmil](/molmil-images/mine/8sh6) | |