8AEB
SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
Summary for 8AEB
Entry DOI | 10.2210/pdb8aeb/pdb |
Related | 7NTQ 7NTT |
Descriptor | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ... (5 entities in total) |
Functional Keywords | 3c-like proteinase, cysteine protease, complex, inhibitor, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 1 |
Total formula weight | 34225.99 |
Authors | Hanoulle, X.,Charton, J.,Deprez, B. (deposition date: 2022-07-12, release date: 2023-03-15, 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: 36796300DOI: 10.1016/j.ejmech.2023.115186 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.83 Å) |
Structure validation
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