8TV6

SARS-CoV-2 Mac1 in complex with MDOLL-0169

Summary for 8TV6

Entry DOI	10.2210/pdb8tv6/pdb
Descriptor	Papain-like protease nsp3, DI(HYDROXYETHYL)ETHER, (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, ... (5 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 (SARS-CoV-2, 2019-nCoV, COVID-19 virus)
Total number of polymer chains	2
Total formula weight	37555.77
Authors	Wazir, S.,Maksimainen, M.,Lehtio, L. (deposition date: 2023-08-17, release date: 2024-04-17, 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 (1.74 Å)

Structure validation