8I4S

the complex structure of SARS-CoV-2 Mpro with D8

Summary for 8I4S

Entry DOI	10.2210/pdb8i4s/pdb
Descriptor	ORF1a polyprotein, 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one (3 entities in total)
Functional Keywords	inhibitor, complex, hydrolase
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	37461.45
Authors	Lu, M. (deposition date: 2023-01-21, release date: 2023-11-29)
Primary citation	Zhang, K.,Wang, T.,Li, M.,Liu, M.,Tang, H.,Wang, L.,Ye, K.,Yang, J.,Jiang, S.,Xiao, Y.,Xie, Y.,Lu, M.,Zhang, X. Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ). Eur.J.Med.Chem., 257:115487-115487, 2023 Cited by PubMed: 37257212 DOI: 10.1016/j.ejmech.2023.115487 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation