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: 38592023DOI: 10.1021/acs.jmedchem.3c02451 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.74 Å) |
Structure validation
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