9EO6
 
 | | SARS-CoV2 major protease in complex with a covalent inhibitor SLL11. | | 分子名称: | 3C-like proteinase nsp5, Inhibitor SLL11, POTASSIUM ION | | 著者 | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | 登録日 | 2024-03-14 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 68, 2024
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9EOX
 | | SARS-CoV2 major protease in covalent complex with a soluble inhibitor. | | 分子名称: | 3C-like proteinase nsp5, POTASSIUM ION, Soluble inhibitor | | 著者 | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | 登録日 | 2024-03-15 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 68, 2024
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9EOR
 | | SARS-CoV2 major protease in complex with a covalent inhibitor SLL12. | | 分子名称: | 3C-like proteinase nsp5, Inhibitor SLL12, POTASSIUM ION | | 著者 | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | 登録日 | 2024-03-15 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 68, 2024
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7PFL
 | | The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution | | 分子名称: | Replicase polyprotein 1ab, SODIUM ION | | 著者 | Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
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7PFM
 | | A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | | 分子名称: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | | 著者 | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
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7O46
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7BIJ
 | | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 13 | | 分子名称: | (3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Talibov, V.O. | | 登録日 | 2021-01-12 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
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7QBB
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7NEO
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7NBT
 | | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21 | | 分子名称: | 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Talibov, V.O. | | 登録日 | 2021-01-27 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
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7AU4
 | | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3 | | 分子名称: | (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Talibov, V.O. | | 登録日 | 2020-11-02 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
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7B77
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7B2J
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7B2U
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7B5Z
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