7SF1
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001
Summary for 7SF1
Entry DOI | 10.2210/pdb7sf1/pdb |
Related | 7SET 7SF3 7SFB 7SFH 7SFI 7SGH |
Descriptor | 3C-like proteinase, (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total) |
Functional Keywords | sarscov2, sars-cov-2, coronavirus, main protease, protease, mpro, 3c-like proteinase, cl3pro, inhibitor, complex, covalent, adduct, ml1001, ketoamide, peptidomimetic, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 1 |
Total formula weight | 34375.25 |
Authors | Westberg, M.,Fernandez, D.,Lin, M.Z. (deposition date: 2021-10-02, release date: 2022-10-05, Last modification date: 2024-04-17) |
Primary citation | Westberg, M.,Su, Y.,Zou, X.,Huang, P.,Rustagi, A.,Garhyan, J.,Patel, P.B.,Fernandez, D.,Wu, Y.,Hao, C.,Lo, C.W.,Karim, M.,Ning, L.,Beck, A.,Saenkham-Huntsinger, P.,Tat, V.,Drelich, A.,Peng, B.H.,Einav, S.,Tseng, C.K.,Blish, C.,Lin, M.Z. An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16:eadi0979-eadi0979, 2024 Cited by PubMed: 38478629DOI: 10.1126/scitranslmed.adi0979 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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