6XBI

Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248

Summary for 6XBI

• Entry DOI: 10.2210/pdb6xbi/pdb
• Related PRD ID: PRD_002394
• Descriptor: 3C-like proteinase, inhibitor UAW248, GLYCEROL, ... (6 entities in total)
• Functional Keywords: covid, covid19, covid-19, sars, sars cov2, cov, ncov 19, coronavirus, main protease, 3cl, mpro, pro, viral protein, gc376, calpain inhibitor ii, leupeptin, calpain, aldehyde, gc-376, 3cl-like, a-ketoamide, uaw41, uaw246, uaw247, uaw248, 246, 247, 248, alpheketoamide, alpha, ketoamide, peptidomimetic, protease, cysteine, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV); More
• Total number of polymer chains: 4
• Total formula weight: 69650.50

Authors

Sacco, M.,Ma, C.,Wang, J.,Chen, Y. (deposition date: 2020-06-06, release date: 2020-06-17, Last modification date: 2023-11-15)

• Primary citation: Sacco, M.D.,Ma, C.,Lagarias, P.,Gao, A.,Townsend, J.A.,Meng, X.,Dube, P.,Zhang, X.,Hu, Y.,Kitamura, N.,Hurst, B.,Tarbet, B.,Marty, M.T.,Kolocouris, A.,Xiang, Y.,Chen, Y.,Wang, J.; Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.; Sci Adv, 6:-, 2020; PubMed: 33158912; DOI: 10.1126/sciadv.abe0751

Experimental method

X-RAY DIFFRACTION (1.7 Å)