7JU7

The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib

Summary for 7JU7

• Entry DOI: 10.2210/pdb7ju7/pdb
• Descriptor: 3C-like proteinase, Masitinib, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: sars-cov-2, covid-19, 3cl, main protease, masitinib, structural genomics, center for structural genomics of infectious diseases, csgid, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• Total number of polymer chains: 1
• Total formula weight: 34586.51

Authors

Tan, K.,Maltseva, N.I.,Welk, L.F.,Jedrzejczak, R.P.,Joachimiak, A.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2020-08-19, release date: 2020-09-09, Last modification date: 2023-10-18)

• Primary citation: Drayman, N.,DeMarco, J.K.,Jones, K.A.,Azizi, S.A.,Froggatt, H.M.,Tan, K.,Maltseva, N.I.,Chen, S.,Nicolaescu, V.,Dvorkin, S.,Furlong, K.,Kathayat, R.S.,Firpo, M.R.,Mastrodomenico, V.,Bruce, E.A.,Schmidt, M.M.,Jedrzejczak, R.,Munoz-Alia, M.A.,Schuster, B.,Nair, V.,Han, K.Y.,O'Brien, A.,Tomatsidou, A.,Meyer, B.,Vignuzzi, M.,Missiakas, D.,Botten, J.W.,Brooke, C.B.,Lee, H.,Baker, S.C.,Mounce, B.C.,Heaton, N.S.,Severson, W.E.,Palmer, K.E.,Dickinson, B.C.,Joachimiak, A.,Randall, G.,Tay, S.; Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.; Science, 373:931-936, 2021; PubMed: 34285133; DOI: 10.1126/science.abg5827

Experimental method

X-RAY DIFFRACTION (1.6 Å)