7B3E
Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Summary for 7B3E
Entry DOI | 10.2210/pdb7b3e/pdb |
Descriptor | Main Protease, 1,2-ETHANEDIOL, CHLORIDE ION, ... (6 entities in total) |
Functional Keywords | sars-cov-2, mpro, 3clpro, exscalate4cov, drug discovery, elettra, viral protein, myricetin |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 2 |
Total formula weight | 68966.69 |
Authors | Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P. (deposition date: 2020-11-30, release date: 2021-01-13, Last modification date: 2024-01-31) |
Primary citation | Kuzikov, M.,Costanzi, E.,Reinshagen, J.,Esposito, F.,Vangeel, L.,Wolf, M.,Ellinger, B.,Claussen, C.,Geisslinger, G.,Corona, A.,Iaconis, D.,Talarico, C.,Manelfi, C.,Cannalire, R.,Rossetti, G.,Gossen, J.,Albani, S.,Musiani, F.,Herzog, K.,Ye, Y.,Giabbai, B.,Demitri, N.,Jochmans, D.,Jonghe, S.,Rymenants, J.,Summa, V.,Tramontano, E.,Beccari, A.R.,Leyssen, P.,Storici, P.,Neyts, J.,Gribbon, P.,Zaliani, A. Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen. Acs Pharmacol Transl Sci, 4:1096-1110, 2021 Cited by PubMed: 35287429DOI: 10.1021/acsptsci.0c00216 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.77 Å) |
Structure validation
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