A New Crystal Form Of The Sars-Cov-2 Receptor Binding Domain: Cr3022 Complex-An Ideal Target For In-Crystal Fragment Screening Of The Ace2 Binding Site Surface

FRONTIERS IN PHARMACOLOGY(2020)

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摘要
In-crystal fragment screening is a powerful tool to chemically probe the surfaces used by proteins to interact, and identify the chemical space worth exploring to design protein-protein inhibitors. A crucial prerequisite is the identification of a crystal form where the target area is exposed and accessible to be probed by fragments. Here we report a crystal form of the SARS-CoV-2 Receptor Binding Domain in complex with the CR3022 antibody where the ACE2 binding site on the Receptor Binding Domain is exposed and accessible. This crystal form of the complex is a valuable tool to develop antiviral molecules that could act by blocking the virus entry in cells.
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关键词
in-crystal fragment screening, CR3022, drug discovery, PPI inhibitors, SARC-CoV-2-RBD
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