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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 DOI10.2210/pdb9fq9/pdb
DescriptorNon-structural protein 11, (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate, BROMIDE ION, ... (4 entities in total)
Functional Keywordsantiviral drugs, covalent inhibition, covid-19, irreversible inhibitors, viral protein
Biological sourceSevere acute respiratory syndrome coronavirus 2
Total number of polymer chains1
Total formula weight34201.14
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 citationOneto, 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: 39146284
DOI: 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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PDB entries from 2024-08-28

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