7RVT
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20
Summary for 7RVT
Entry DOI | 10.2210/pdb7rvt/pdb |
Descriptor | 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-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 | 2 |
Total formula weight | 68568.28 |
Authors | Yang, K.,Sankaran, B.,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 Cited by PubMed: 35779291DOI: 10.1016/j.ejmech.2022.114570 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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