39KL

SARS-CoV-2 Main Protease with Zevotrelvir

Summary for 39KL

Entry DOI	10.2210/pdb39kl/pdb
Descriptor	3C-like proteinase nsp5, 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide (3 entities in total)
Functional Keywords	sars-cov-2, 3clpro, mpro, zevotrelvir, edp-235, covalent inhibitor, antiviral, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	34236.97
Authors	Al-Homoudi, A.I.,Brunzelle, J.S.,Kovari, L.C. (deposition date: 2026-10-14, release date: 2026-11-11)
Primary citation	Al-Homoudi, A.I.,Brunzelle, J.S.,Kovari, L.C. Molecular Determinants of Differential Resistance Across Approved and Next-Generation SARS-CoV-2 Main Protease Inhibitors To Be Published,
Experimental method	X-RAY DIFFRACTION (1.53 Å)

Structure validation