8V8E

Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-199-6H) in complex with ensitrelvir (ESV)

Summary for 8V8E

Entry DOI	10.2210/pdb8v8e/pdb
Related	8V7T 8V7W
Descriptor	3C-like proteinase nsp5, peptide, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... (4 entities in total)
Functional Keywords	inhibitor complex, catalytic domain, cysteine protease, hydrolase
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) More
Total number of polymer chains	3
Total formula weight	48032.05
Authors	Kovalevsky, A.,Coates, L. (deposition date: 2023-12-05, release date: 2024-05-29, Last modification date: 2024-06-12)
Primary citation	Kovalevsky, A.,Aniana, A.,Coates, L.,Ghirlando, R.,Nashed, N.T.,Louis, J.M. Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease. J.Mol.Biol., 436:168616-168616, 2024 Cited by PubMed: 38762033 DOI: 10.1016/j.jmb.2024.168616 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation