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7K6D

SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)

Summary for 7K6D
Entry DOI10.2210/pdb7k6d/pdb
Related PRD IDPRD_002448
Descriptor3C-like proteinase, 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 Keywordssars-cov-2, main protease, 3clpro/mpro, telaprevir, viral protein, acoustic drop ejection, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
Total number of polymer chains1
Total formula weight34585.54
Authors
Kreitler, D.F.,Andi, B.,Kumaran, D.,Soares, A.S.,Shi, W.,Jakoncic, J.,Fuchs, M.R.,Keereetaweep, J.,Shanklin, J.,McSweeney, S. (deposition date: 2020-09-19, release date: 2020-09-30, Last modification date: 2023-10-18)
Primary citationAndi, B.,Kumaran, D.,Kreitler, D.F.,Soares, A.S.,Keereetaweep, J.,Jakoncic, J.,Lazo, E.O.,Shi, W.,Fuchs, M.R.,Sweet, R.M.,Shanklin, J.,Adams, P.D.,Schmidt, J.G.,Head, M.S.,McSweeney, S.
Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12:12197-12197, 2022
Cited by
PubMed: 35842458
DOI: 10.1038/s41598-022-15930-z
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.48 Å)
Structure validation

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