6Y7M

Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate

This is a non-PDB format compatible entry.

Summary for 6Y7M

• Entry DOI: 10.2210/pdb6y7m/pdb
• Descriptor: 3C-like proteinase, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: coronavirus, alpha-ketoamide, antiviral, drug design, viral protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus (SARS-CoV)
• Total number of polymer chains: 1
• Total formula weight: 34540.46

Authors

Zhang, L.,Lin, D.,Hilgenfeld, R. (deposition date: 2020-03-01, release date: 2020-03-18, Last modification date: 2024-01-24)

• Primary citation: Zhang, L.,Lin, D.,Sun, X.,Curth, U.,Drosten, C.,Sauerhering, L.,Becker, S.,Rox, K.,Hilgenfeld, R.; Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.; Science, 368:409-412, 2020; PubMed: 32198291; DOI: 10.1126/science.abb3405

Experimental method

X-RAY DIFFRACTION (1.9 Å)