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X-ray crystallography identifies drugs to be repurposed for COVID-19 – The Science Board

A new large-scale study indicates x-ray crystallography can be used to find drugs that could be repurposed to target the SARS-CoV-2 main protease. In addition to…

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Proteolytic cleavage of the SARS-CoV-2 polyprotein is primarily accomplished by the main protease. The enzyme contains a chymotrypsin-like fold appended with a C-terminal helical domain, and it harbors a catalytic dyad comprised of Cys145 and His41 in its active site, which is formed by four major pockets. The active site is located in a cleft between the two N-terminal domains of the three-domain structure of the monomer, while the C-terminal helical domain is involved in regulation and dimerization…

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