8F02

SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a4

Summary for 8F02

• Entry DOI: 10.2210/pdb8f02/pdb
• Related: 7SET 7SF1 7SF3 7SFB 7SFH 7SFI 7SGH 7U92 7UUG 7UUP 8EZV 8EZZ
• Descriptor: 3C-like proteinase nsp5, (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-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 Keywords: sarscov2, sars-cov-2, coronavirus, main protease, protease, mpro, 3c-like proteinase, cl3pro, inhibitor, complex, covalent, adduct, m2006a4, ketoamide, azetidine, peptidomimetic, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34455.26

Authors

Westberg, M.,Fernandez, D.,Lin, M.Z. (deposition date: 2022-11-01, release date: 2023-10-11, Last modification date: 2024-03-20)

• 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 (2 Å)