9FQ9
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21110 (compound 29b in publication)
This is a non-PDB format compatible entry.
Summary for 9FQ9
Entry DOI | 10.2210/pdb9fq9/pdb |
Descriptor | Non-structural protein 11, (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate, BROMIDE ION, ... (4 entities in total) |
Functional Keywords | antiviral drugs, covalent inhibition, covid-19, irreversible inhibitors, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 1 |
Total formula weight | 34201.14 |
Authors | Strater, N.,Claff, T.,Sylvester, K.,Oneto, A.,Guetschow, M.,Mueller, C.E. (deposition date: 2024-06-19, release date: 2024-08-28) |
Primary citation | Oneto, A.,Hamwi, G.A.,Schakel, L.,Kruger, N.,Sylvester, K.,Petry, M.,Shamleh, R.A.,Pillaiyar, T.,Claff, T.,Schiedel, A.C.,Strater, N.,Gutschow, M.,Muller, C.E. Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity. J.Med.Chem., 2024 Cited by PubMed: 39146284DOI: 10.1021/acs.jmedchem.4c00535 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.25 Å) |
Structure validation
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