8VQX
Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor
This is a non-PDB format compatible entry.
Summary for 8VQX
Entry DOI | 10.2210/pdb8vqx/pdb |
Descriptor | 3C-like proteinase nsp5, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-1-(1H-indole-2-carbonyl)-4,4-dimethyl-L-prolinamide, SODIUM ION, ... (6 entities in total) |
Functional Keywords | viral protein sars cov 2, hydrolase, 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 | 1 |
Total formula weight | 36674.64 |
Authors | |
Primary citation | Carney, D.W.,Leffler, A.E.,Bell, J.A.,Chandrasinghe, A.S.,Cheng, C.,Chang, E.,Dornford, A.,Dougan, D.R.,Frye, L.L.,Grimes, M.E.,Knehans, T.,Knight, J.L.,Komandla, M.,Lane, W.,Li, H.,Newman, S.R.,Phimister, K.,Saikatendu, K.S.,Silverstein, H.,Vafaei, S. Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103:117577-117577, 2024 Cited by PubMed: 38518735DOI: 10.1016/j.bmc.2023.117577 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.35 Å) |
Structure validation
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