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)

• Primary citation: Wazir, S.,Parviainen, T.,Maksimainen, M.,Duong, M.,Pfannenstiel, J.,Cluff, D.,Sowa, S.,Galera-Prat, A.,Ferraris, D.,Fehr, A.,Heiskanen, J.,Lehtio, L.; Discovery of 2-amide-3-methylester thiophenes inhibiting SARS-CoV-2 ADP-ribosyl hydrolysing macrodomain and coronavirus replication; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.74 Å)