8E25
Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir
Summary for 8E25
Entry DOI | 10.2210/pdb8e25/pdb |
Descriptor | Replicase polyprotein 1ab, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, DIMETHYL SULFOXIDE, ... (4 entities in total) |
Functional Keywords | main protease, sars-cov-2, nirmatrelvir, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 2 |
Total formula weight | 68852.50 |
Authors | Noske, G.D.,Godoy, A.S.,Oliva, G. (deposition date: 2022-08-14, release date: 2022-10-12, Last modification date: 2023-10-25) |
Primary citation | Noske, G.D.,de Souza Silva, E.,de Godoy, M.O.,Dolci, I.,Fernandes, R.S.,Guido, R.V.C.,Sjo, P.,Oliva, G.,Godoy, A.S. Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299:103004-103004, 2023 Cited by PubMed: 36775130DOI: 10.1016/j.jbc.2023.103004 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.868 Å) |
Structure validation
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