Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray–derived conformational ensembles

Autor: Yabukarski, Filip, Biel, Justin T., Pinney, Margaux M., Doukov, Tzanko, Powers, Alexander S., Fraser, James S., Herschlag, Daniel

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America, 2020 Dec . 117(52), 33204-33215.

Externí odkaz: https://www.jstor.org/stable/27006546

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Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

Autor: Schuller, Marion, Correy, Galen J, Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D, Carvalho Martins, Luan, 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, QCRG Structural Biology Consortium, Aimon, Anthony, Bennett, James M, Brandao Neto, Jose, Cohen, Aina E, Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P, Fuchs, Martin R, Gorrie-Stone, Tyler J, Holton, James M, Johnson, Michael G, Krojer, Tobias, Meigs, George, Powell, Ailsa J, Rack, Johannes Gregor Matthias, Rangel, Victor L, Russi, Silvia, Skyner, Rachael E, Smith, Clyde A, Soares, Alexei S, Wierman, Jennifer L, Zhu, Kang, O'Brien, Peter, Jura, Natalia, Ashworth, Alan, Irwin, John J, Thompson, Michael C, Gestwicki, Jason E, von Delft, Frank, Shoichet, Brian K, Fraser, James S, Ahel, Ivan

Publikováno v: Science advances, vol 7, iss 16

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) macrodomain within the nonstructural protein 3 counteracts host-mediated antiviral adenosine diphosphate-ribosylation signaling. This enzyme is a promising antiviral target because cata

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::8b0f926904f003bc747848f51e89322a
https://escholarship.org/uc/item/9499n6d3

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Revealing crystallographic protein minor states via multiconformer modeling and PanDDA background subtraction

Autor: Biel, Justin T

Publikováno v: Biel, Justin T. (2019). Revealing crystallographic protein minor states via multiconformer modeling and PanDDA background subtraction. UC San Francisco: Biophysics. Retrieved from: http://www.escholarship.org/uc/item/28q8h5f7

Proteins are fascinating machines, and the investigation of their structures has led to many insights in biology and drug discovery. Proteins are not static, and their dynamics and their sub-populated states are often relevant to their natural functi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::d5d760a208c7eefa34e01c7579668d12
http://www.escholarship.org/uc/item/28q8h5f7