8CAJ

Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K

Summary for 8CAJ

Entry DOI	10.2210/pdb8caj/pdb
Descriptor	Non-structural protein 11, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate (3 entities in total)
Functional Keywords	mpro mutation, antiviral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	33915.72
Authors	El Kilani, H.,Hilgenfeld, R. (deposition date: 2023-01-24, release date: 2024-08-07, Last modification date: 2025-09-03)
Primary citation	El Kilani, H.,Sun, X.,Ibrahim, M.F.,Curth, U.,Hilgenfeld, R. 13b-K and Nirmatrelvir Resistance Mutations of SARS-CoV-2 Main Protease: Structural, Biochemical, and Biophysical Characterization of Free Enzymes and Inhibitor Complexes Crystals, 15:-, 2025 Cited by DOI: 10.3390/cryst15090758 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation