8EUA

Structure of SARS-CoV2 PLpro bound to a covalent inhibitor

Summary for 8EUA

Entry DOI	10.2210/pdb8eua/pdb
Descriptor	Papain-like protease nsp3, methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate, ZINC ION, ... (5 entities in total)
Functional Keywords	plpro, sars-cov2, covalent inhibitor, hydrolase, 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	36937.99
Authors	Mathews, I.I.,Pokhrel, S.,Wakatsuki, S. (deposition date: 2022-10-18, release date: 2023-04-05, Last modification date: 2023-10-25)
Primary citation	Sanders, B.C.,Pokhrel, S.,Labbe, A.D.,Mathews, I.I.,Cooper, C.J.,Davidson, R.B.,Phillips, G.,Weiss, K.L.,Zhang, Q.,O'Neill, H.,Kaur, M.,Schmidt, J.G.,Reichard, W.,Surendranathan, S.,Parvathareddy, J.,Phillips, L.,Rainville, C.,Sterner, D.E.,Kumaran, D.,Andi, B.,Babnigg, G.,Moriarty, N.W.,Adams, P.D.,Joachimiak, A.,Hurst, B.L.,Kumar, S.,Butt, T.R.,Jonsson, C.B.,Ferrins, L.,Wakatsuki, S.,Galanie, S.,Head, M.S.,Parks, J.M. Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nat Commun, 14:1733-1733, 2023 Cited by PubMed: 36977673 DOI: 10.1038/s41467-023-37254-w PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.1 Å)

Structure validation