9FQA

Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21101 (compound 30b in publication)

This is a non-PDB format compatible entry.

Summary for 9FQA

• Entry DOI: 10.2210/pdb9fqa/pdb
• Descriptor: Non-structural protein 11, (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: protease, inhibitor, pyridyl esters, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34287.52

Authors

Strater, N.,Claff, T.,Sylvester, K.,Oneto, A.,Guetschow, M.,Mueller, C.E. (deposition date: 2024-06-14, 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; PubMed: 39146284; DOI: 10.1021/acs.jmedchem.4c00535

Experimental method

X-RAY DIFFRACTION (1.47 Å)