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; PubMed: 38478629; DOI: 10.1126/scitranslmed.adi0979

Experimental method

X-RAY DIFFRACTION (1.85 Å)