7NTQ

Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide

Summary for 7NTQ

Entry DOI	10.2210/pdb7ntq/pdb
Related	7NTS 7NTT 7NTW
Descriptor	3C-like proteinase, N-(pyridin-3-ylmethyl)thioformamide, SODIUM ION, ... (6 entities in total)
Functional Keywords	3clpro, main protease, sars-cov-2, 2019-ncov, inhibitor, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	1
Total formula weight	34759.57
Authors	Dupre, E.,Villeret, V.,Hanoulle, X. (deposition date: 2021-03-10, release date: 2022-03-02, Last modification date: 2024-02-07)
Primary citation	Brier, L.,Hassan, H.,Hanoulle, X.,Landry, V.,Moschidi, D.,Desmarets, L.,Rouille, Y.,Dumont, J.,Herledan, A.,Warenghem, S.,Piveteau, C.,Carre, P.,Ikherbane, S.,Cantrelle, F.X.,Dupre, E.,Dubuisson, J.,Belouzard, S.,Leroux, F.,Deprez, B.,Charton, J. Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250:115186-115186, 2023 Cited by PubMed: 36796300 DOI: 10.1016/j.ejmech.2023.115186 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.495 Å)

Structure validation