7RVR

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI18

Summary for 7RVR

• Entry DOI: 10.2210/pdb7rvr/pdb
• Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide (3 entities in total)
• Functional Keywords: covid-19, sars-cov-2, main protease, reversible covalent inhibitors, viral protein, 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: 34300.18

Authors

Yang, K.,Liu, W. (deposition date: 2021-08-19, release date: 2022-07-20, Last modification date: 2023-10-18)

• Primary citation: Ma, Y.,Yang, K.S.,Geng, Z.Z.,Alugubelli, Y.R.,Shaabani, N.,Vatansever, E.C.,Ma, X.R.,Cho, C.C.,Khatua, K.,Xiao, J.,Blankenship, L.R.,Yu, G.,Sankaran, B.,Li, P.,Allen, R.,Ji, H.,Xu, S.,Liu, W.R.; A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.; Eur.J.Med.Chem., 240:114570-114570, 2022; PubMed: 35779291; DOI: 10.1016/j.ejmech.2022.114570

Experimental method

X-RAY DIFFRACTION (2.46 Å)