7P35

Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir

This is a non-PDB format compatible entry.

Summary for 7P35

• Entry DOI: 10.2210/pdb7p35/pdb
• Related: 7ZQV 7ZQW
• Descriptor: 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER (3 entities in total)
• Functional Keywords: protease, inhibitor, sars-cov-2, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 2
• Total formula weight: 68852.45

Authors

Fabrega-Ferrer, M.,Perez-Saavedra, J.,Herrera-Morande, A.,Coll, M. (deposition date: 2021-07-07, release date: 2021-07-21, Last modification date: 2024-05-01)

• Primary citation: Fabrega-Ferrer, M.,Herrera-Morande, A.,Muriel-Goni, S.,Perez-Saavedra, J.,Bueno, P.,Castro, V.,Garaigorta, U.,Gastaminza, P.,Coll, M.; Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.; Antiviral Res., 208:105458-105458, 2022; PubMed: 36336176; DOI: 10.1016/j.antiviral.2022.105458

Experimental method

X-RAY DIFFRACTION (2.256 Å)