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9ARS

Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245

Summary for 9ARS
Entry DOI10.2210/pdb9ars/pdb
Descriptor3C-like proteinase nsp5, (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 (3 entities in total)
Functional Keywordssars-cov-2 main protease, 3c-like proteinase, viral protein, sars-cov-2, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceSevere acute respiratory syndrome coronavirus 2
Total number of polymer chains2
Total formula weight68902.53
Authors
Bulut, H.,Hattori, S.,Hayashi, H.,Hasegawa, K.,Li, M.,Wlodawer, A.,Misumi, S.,Tamamura, H.,Mitsuya, H. (deposition date: 2024-02-23, release date: 2024-04-24)
Primary citationHattori, S.,Bulut, H.,Hayashi, H.,Kishimoto, N.,Takamune, N.,Hasegawa, K.,Murayama, K.,Mi, L.,Wlodawer, A.,Tamamura, H.,Misumi, S.,Mitsuya, H.
Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.4 Å)
Structure validation

221051

數據於2024-06-12公開中

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