Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking

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The SARS-CoV-2 macrodomain (Mac1) within the non-structural protein 3 (Nsp3) counteracts host-mediated antiviral ADP-ribosylation signalling. This enzyme is a promising antiviral target because catalytic mutations render viruses non-pathogenic. Here, we report a massive crystallographic screening an...

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Autores principales: Schuller, Marion, Correy, Galen J., Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D., Martins, Luan Carvalho, Smith, Dominique H., Schulze-Gahmen, Ursula, Owens, Tristan W., Deshpande, Ishan, Merz, Gregory E., Thwin, Aye C., Biel, Justin T., Peters, Jessica K., Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T., Aimon, Anthony, Bennett, James M., Neto, Jose Brandao, Cohen, Aina E., Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P., Fuchs, Martin, Gorrie-Stone, Tyler J., Holton, James M., Johnson, Michael G., Krojer, Tobias, Meigs, George, Powell, Ailsa J., Rangel, Victor L, Russi, Silvia, Skyner, Rachael E., Smith, Clyde A., Soares, Alexei S., Wierman, Jennifer L., Zhu, Kang, Jura, Natalia, Ashworth, Alan, Irwin, John, Thompson, Michael C., Gestwicki, Jason E., von Delft, Frank, Shoichet, Brian K., Fraser, James S., Ahel, Ivan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7709169/
https://www.ncbi.nlm.nih.gov/pubmed/33269349
http://dx.doi.org/10.1101/2020.11.24.393405

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