7Z3U

Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin

Summary for 7Z3U

• Entry DOI: 10.2210/pdb7z3u/pdb
• Related: 7QKA 7QKB 7QKC 7Z2K 7Z3T 7Z58
• Related PRD ID: PRD_002387
• Descriptor: 3C-like proteinase nsp5, Calpetin, DIMETHYL SULFOXIDE, ... (6 entities in total)
• Functional Keywords: main protease, mpro, cystein protease, drug development, drug target, peptide-like inhibitor, sars-cov-2, covid-19, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2; More
• Total number of polymer chains: 4
• Total formula weight: 68823.31

Authors

Reinke, P.Y.A.,Falke, S.,Lieske, J.,Ewert, W.,Loboda, J.,Rahmani Mashhour, A.,Hauser, M.,Karnicar, K.,Usenik, A.,Lindic, N.,Lach, M.,Boehler, H.,Beck, T.,Cox, R.,Chapman, H.N.,Hinrichs, W.,Turk, D.,Guenther, S.,Meents, A. (deposition date: 2022-03-02, release date: 2023-03-22, Last modification date: 2024-07-10)

• Primary citation: Reinke, P.Y.A.,de Souza, E.E.,Gunther, S.,Falke, S.,Lieske, J.,Ewert, W.,Loboda, J.,Herrmann, A.,Rahmani Mashhour, A.,Karnicar, K.,Usenik, A.,Lindic, N.,Sekirnik, A.,Botosso, V.F.,Santelli, G.M.M.,Kapronezai, J.,de Araujo, M.V.,Silva-Pereira, T.T.,Filho, A.F.S.,Tavares, M.S.,Florez-Alvarez, L.,de Oliveira, D.B.L.,Durigon, E.L.,Giaretta, P.R.,Heinemann, M.B.,Hauser, M.,Seychell, B.,Bohler, H.,Rut, W.,Drag, M.,Beck, T.,Cox, R.,Chapman, H.N.,Betzel, C.,Brehm, W.,Hinrichs, W.,Ebert, G.,Latham, S.L.,Guimaraes, A.M.S.,Turk, D.,Wrenger, C.,Meents, A.; Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.; Commun Biol, 6:1058-1058, 2023; PubMed: 37853179; DOI: 10.1038/s42003-023-05317-9

Experimental method

X-RAY DIFFRACTION (1.72 Å)