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6ZRT

Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir

Summary for 6ZRT
Entry DOI10.2210/pdb6zrt/pdb
DescriptorMain Protease, DIMETHYL SULFOXIDE, (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, ... (4 entities in total)
Functional Keywordsprotease, telaprevir, inhibitor, viral protein
Biological sourceSevere acute respiratory syndrome coronavirus 2
Total number of polymer chains1
Total formula weight34585.54
Authors
Oerlemans, R.,Wang, W.,Lunev, S.,Domling, A.,Groves, M.R. (deposition date: 2020-07-14, release date: 2020-08-12, Last modification date: 2024-01-31)
Primary citationOerlemans, R.,Ruiz-Moreno, A.J.,Cong, Y.,Dinesh Kumar, N.,Velasco-Velazquez, M.A.,Neochoritis, C.G.,Smith, J.,Reggiori, F.,Groves, M.R.,Domling, A.
Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12:370-379, 2020
Cited by
PubMed: 34041486
DOI: 10.1039/d0md00367k
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.1 Å)
Structure validation

217705

數據於2024-03-27公開中

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