8DZ9

Crystal Structure of SARS-CoV-2 Main protease G143S mutant in complex with Nirmatrelvir

Summary for 8DZ9

Entry DOI	10.2210/pdb8dz9/pdb
Descriptor	3C-like proteinase nsp5, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	mpro, 3cl, covid, sars-cov-2 ensitrelvir, nirmatrelvir, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	4
Total formula weight	137506.60
Authors	Noske, G.D.,Oliva, G.,Godoy, A.S. (deposition date: 2022-08-06, release date: 2022-08-24, Last modification date: 2023-10-25)
Primary citation	Noske, G.D.,de Souza Silva, E.,de Godoy, M.O.,Dolci, I.,Fernandes, R.S.,Guido, R.V.C.,Sjo, P.,Oliva, G.,Godoy, A.S. Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299:103004-103004, 2023 Cited by PubMed: 36775130 DOI: 10.1016/j.jbc.2023.103004 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.664 Å)

Structure validation