7FAY

Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a

Summary for 7FAY

Entry DOI	10.2210/pdb7fay/pdb
Descriptor	3C-like proteinase, (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide (3 entities in total)
Functional Keywords	coronavirus, protease, inhibitor, complex, viral protein., viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains	1
Total formula weight	34237.08
Authors	Zeng, R.,Quan, B.X.,Liu, X.L.,Lei, J. (deposition date: 2021-07-08, release date: 2021-07-21, Last modification date: 2023-11-29)
Primary citation	Quan, B.X.,Shuai, H.,Xia, A.J.,Hou, Y.,Zeng, R.,Liu, X.L.,Lin, G.F.,Qiao, J.X.,Li, W.P.,Wang, F.L.,Wang, K.,Zhou, R.J.,Yuen, T.T.,Chen, M.X.,Yoon, C.,Wu, M.,Zhang, S.Y.,Huang, C.,Wang, Y.F.,Yang, W.,Tian, C.,Li, W.M.,Wei, Y.Q.,Yuen, K.Y.,Chan, J.F.,Lei, J.,Chu, H.,Yang, S. An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7:716-725, 2022 Cited by PubMed: 35477751 DOI: 10.1038/s41564-022-01119-7 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation