8ULD

SARA CoV-2 3C-like protease in complex with GSK3487016A

Summary for 8ULD

• Entry DOI: 10.2210/pdb8uld/pdb
• Descriptor: Replicase polyprotein 1a, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: sars cov-2, protease, inhibitor, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus
• Total number of polymer chains: 1
• Total formula weight: 36914.94

Authors

Williams, S.P.,Concha, N.O. (deposition date: 2023-10-16, release date: 2024-02-14)

• Primary citation: Barton, L.S.,Callahan, J.F.,Cantizani, J.,Concha, N.O.,Cotillo Torrejon, I.,Goodwin, N.C.,Joshi-Pangu, A.,Kiesow, T.J.,McAtee, J.J.,Mellinger, M.,Nixon, C.J.,Padron-Barthe, L.,Patterson, J.R.,Pearson, N.D.,Pouliot, J.J.,Rendina, A.R.,Buitrago Santanilla, A.,Schneck, J.L.,Sanz, O.,Thalji, R.K.,Ward, P.,Williams, S.P.,King, B.W.; Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.; Bioorg.Med.Chem., 100:117618-117618, 2024; PubMed: 38309201; DOI: 10.1016/j.bmc.2024.117618

Experimental method

X-RAY DIFFRACTION (1.8 Å)