7L5D
The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib
Summary for 7L5D
Entry DOI | 10.2210/pdb7l5d/pdb |
Descriptor | 3C-like proteinase, N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide, DIMETHYL SULFOXIDE, ... (5 entities in total) |
Functional Keywords | sars-cov-2, covid-19, 3cl, main protease, masitinib, demethylation, analog, structural genomics, center for structural genomics of infectious diseases, csgid, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 1 |
Total formula weight | 34991.07 |
Authors | Tan, K.,Maltseva, N.I.,Jedrzejczak, R.P.,Joachimiak, A.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2020-12-21, release date: 2020-12-30, 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 Cited by PubMed: 34285133DOI: 10.1126/science.abg5827 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.58 Å) |
Structure validation
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