8B2T

SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne

Summary for 8B2T

Entry DOI	10.2210/pdb8b2t/pdb
Descriptor	3C-like proteinase nsp5, Nirmatrelvir (reacted form) (3 entities in total)
Functional Keywords	inhibitor, complex, covalent, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	34197.97
Authors	Owen, C.D.,Crawshaw, A.D.,Warren, A.J.,Trincao, J.,Zhao, Y.,Brewitz, L.,Malla, T.R.,Salah, E.,Petra, L.,Strain-Damerell, C.,Schofield, C.J.,Walsh, M.A. (deposition date: 2022-09-14, release date: 2023-02-22, Last modification date: 2024-02-07)
Primary citation	Brewitz, L.,Dumjahn, L.,Zhao, Y.,Owen, C.D.,Laidlaw, S.M.,Malla, T.R.,Nguyen, D.,Lukacik, P.,Salah, E.,Crawshaw, A.D.,Warren, A.J.,Trincao, J.,Strain-Damerell, C.,Carroll, M.W.,Walsh, M.A.,Schofield, C.J. Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine. J.Med.Chem., 66:2663-2680, 2023 Cited by PubMed: 36757959 DOI: 10.1021/acs.jmedchem.2c01627 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.893 Å)

Structure validation