7RN0

Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R

Summary for 7RN0

• Entry DOI: 10.2210/pdb7rn0/pdb
• Descriptor: 3C-like proteinase, GLYCEROL, (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, ... (4 entities in total)
• Functional Keywords: mpro, inhibitor, main protease, 3cl, sars, sars-cov-2, covid, covid-19, viral protein, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 1
• Total formula weight: 34448.26

Authors

Sacco, M.,Chen, Y. (deposition date: 2021-07-28, release date: 2021-08-11, 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 (2.25 Å)