8TV7

SARS-CoV-2 Mac1 in complex with MDOLL-0229

Summary for 8TV7

Entry DOI	10.2210/pdb8tv7/pdb
Descriptor	Papain-like protease nsp3, GLYCEROL, (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, ... (4 entities in total)
Functional Keywords	hydrolase, macrodomain, inhibitor, covid-19, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
Total number of polymer chains	1
Total formula weight	19014.67
Authors	Wazir, S.,Maksimainen, M.,Lehtio, L. (deposition date: 2023-08-17, release date: 2024-04-24, Last modification date: 2024-05-08)
Primary citation	Wazir, S.,Parviainen, T.A.O.,Pfannenstiel, J.J.,Duong, M.T.H.,Cluff, D.,Sowa, S.T.,Galera-Prat, A.,Ferraris, D.,Maksimainen, M.M.,Fehr, A.R.,Heiskanen, J.P.,Lehtio, L. Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67:6519-6536, 2024 Cited by PubMed: 38592023 DOI: 10.1021/acs.jmedchem.3c02451 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation