9C8Q

Co-structure of Main Protease of SARS-CoV-2 (COVID-19) with covalent inhibitor

This is a non-PDB format compatible entry.

Summary for 9C8Q

• Entry DOI: 10.2210/pdb9c8q/pdb
• Descriptor: 3C-like proteinase nsp5, (7P,8S)-3-cyclohexyl-7-(3-methylpyridin-2-yl)pyrazolo[1,5-a]pyrimidine (3 entities in total)
• Functional Keywords: hydrolase, main protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34117.92

Authors

Knapp, M.S.,Ornelas, E. (deposition date: 2024-06-12, release date: 2024-10-16)

• Primary citation: Barkan, D.T.,Garland, K.,Zhang, L.,Eastman, R.T.,Hesse, M.,Knapp, M.,Ornelas, E.,Tang, J.,Cortopassi, W.A.,Wang, Y.,King, F.,Jia, W.,Nguyen, Z.,Frank, A.O.,Chan, R.,Fang, E.,Fuller, D.,Busby, S.,Carias, H.,Donahue, K.,Tandeske, L.,Diagana, T.T.,Jarrousse, N.,Moser, H.,Sarko, C.,Dovala, D.,Moquin, S.,Marx, V.M.; Identification of Potent, Broad-Spectrum Coronavirus Main Protease Inhibitors for Pandemic Preparedness.; J.Med.Chem., 2024; PubMed: 39332817; DOI: 10.1021/acs.jmedchem.4c01404

Experimental method

X-RAY DIFFRACTION (1.692 Å)