Articles with "design crystallographic" as a keyword



Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2

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Published in 2023 at "Proceedings of the National Academy of Sciences of the United States of America"

DOI: 10.1073/pnas.2212931120

Abstract: Significance The nonstructural protein 3 (NSP3) of the severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) contains a conserved macrodomain enzyme (Mac1) that is critical for pathogenesis and lethality. There are currently no well-validated inhibitors for this protein.… read more here.

Keywords: iterative computational; macrodomain; design crystallographic; crystallographic screening ... See more keywords