7L8H

EV68 3C protease (3Cpro) in Complex with Rupintrivir

Summary for 7L8H

• Entry DOI: 10.2210/pdb7l8h/pdb
• Descriptor: 3C Protease, 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: enterovirus, ev68, protease, protease inhibitor, complex, hydrolase inhibitor complex, hydrolase, hydrolase-hydrolase inhibitor complex, rupintrivir, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human enterovirus D68 (EV68)
• Total number of polymer chains: 2
• Total formula weight: 42804.58

Authors

Lockbaum, G.J.,Henes, M.,Lee, J.M.,Timm, J.,Nalivaika, E.A.,Yilmaz, N.K.,Thompson, P.R.,Schiffer, C.A. (deposition date: 2020-12-31, release date: 2021-09-22, Last modification date: 2023-10-18)

• Primary citation: Lockbaum, G.J.,Henes, M.,Lee, J.M.,Timm, J.,Nalivaika, E.A.,Thompson, P.R.,Kurt Yilmaz, N.,Schiffer, C.A.; Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.; Biochemistry, 60:2925-2931, 2021; PubMed: 34506130; DOI: 10.1021/acs.biochem.1c00414

Experimental method

X-RAY DIFFRACTION (1.95 Å)