8SXR

Crystal structure of SARS-CoV-2 Mpro with C5a

Summary for 8SXR

• Entry DOI: 10.2210/pdb8sxr/pdb
• Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide (3 entities in total)
• Functional Keywords: sars-cov-2, inhibitor, viral protein, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68555.03

Authors

Worrall, L.J.,Kenward, C.,Lee, J.,Strynadka, N.C.J. (deposition date: 2023-05-23, release date: 2023-08-30)

• Primary citation: Perez-Vargas, J.,Worrall, L.J.,Olmstead, A.D.,Ton, A.T.,Lee, J.,Villanueva, I.,Thompson, C.A.H.,Dudek, S.,Ennis, S.,Smith, J.R.,Shapira, T.,De Guzman, J.,Gang, S.,Ban, F.,Vuckovic, M.,Bielecki, M.,Kovacic, S.,Kenward, C.,Hong, C.Y.,Gordon, D.G.,Levett, P.N.,Krajden, M.,Leduc, R.,Boudreault, P.L.,Niikura, M.,Paetzel, M.,Young, R.N.,Cherkasov, A.,Strynadka, N.C.J.,Jean, F.; A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.; Emerg Microbes Infect, 12:2246594-2246594, 2023; PubMed: 37555275; DOI: 10.1080/22221751.2023.2246594

Experimental method

X-RAY DIFFRACTION (2.114 Å)