7RN1

Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R

Summary for 7RN1

• Entry DOI: 10.2210/pdb7rn1/pdb
• Descriptor: 3C-like proteinase, GLYCEROL, SULFATE ION, ... (5 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: 34589.79

Authors

Sacco, M.,Chen, Y. (deposition date: 2021-07-28, release date: 2021-09-08, 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 (2.3 Å)