7S75
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42
Summary for 7S75
Entry DOI | 10.2210/pdb7s75/pdb |
Descriptor | 3C-like proteinase, (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total) |
Functional Keywords | main protease, 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 | 34260.16 |
Authors | Yang, K.S.,Sankaran, B.,Liu, W.R. (deposition date: 2021-09-15, release date: 2022-07-27, Last modification date: 2023-10-18) |
Primary citation | Alugubelli, Y.R.,Geng, Z.Z.,Yang, K.S.,Shaabani, N.,Khatua, K.,Ma, X.R.,Vatansever, E.C.,Cho, C.C.,Ma, Y.,Xiao, J.,Blankenship, L.R.,Yu, G.,Sankaran, B.,Li, P.,Allen, R.,Ji, H.,Xu, S.,Liu, W.R. A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240:114596-114596, 2022 Cited by PubMed: 35839690DOI: 10.1016/j.ejmech.2022.114596 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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