7KX5

Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A

Summary for 7KX5

• Entry DOI: 10.2210/pdb7kx5/pdb
• Descriptor: 3C-like proteinase, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: mpro, 76-3a, noncovalent, inhibitor, non-covalent, main protease, 3cl, sars, sars-cov-2, covid, covid-19, 3c-like, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 1
• Total formula weight: 34511.31

Authors

Sacco, M.,Wang, J.,Chen, Y. (deposition date: 2020-12-03, release date: 2020-12-16, Last modification date: 2023-10-18)

• Primary citation: Ma, C.,Xia, Z.,Sacco, M.D.,Hu, Y.,Townsend, J.A.,Meng, X.,Choza, J.,Tan, H.,Jang, J.,Gongora, M.V.,Zhang, X.,Zhang, F.,Xiang, Y.,Marty, M.T.,Chen, Y.,Wang, J.; Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.; J.Am.Chem.Soc., 143:20697-20709, 2021; PubMed: 34860011; DOI: 10.1021/jacs.1c08060

Experimental method

X-RAY DIFFRACTION (2.6 Å)