8UUU

SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162

Summary for 8UUU

Entry DOI	10.2210/pdb8uuu/pdb
Descriptor	Papain-like protease nsp3, N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ACETATE ION, ... (7 entities in total)
Functional Keywords	sars cov-2 papain like protease (plpro) complex with jun12162, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2, 2019-nCoV, COVID-19 virus)
Total number of polymer chains	1
Total formula weight	37208.40
Authors	Ansari, A.,Tan, B.,Ruiz, F.X.,Arnold, E.,Wang, J. (deposition date: 2023-11-02, release date: 2024-04-03, Last modification date: 2024-05-01)
Primary citation	Tan, B.,Zhang, X.,Ansari, A.,Jadhav, P.,Tan, H.,Li, K.,Chopra, A.,Ford, A.,Chi, X.,Ruiz, F.X.,Arnold, E.,Deng, X.,Wang, J. Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383:1434-1440, 2024 Cited by PubMed: 38547259 DOI: 10.1126/science.adm9724 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.01 Å)

Structure validation