Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking (2021)
- Authors:
- 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.
- 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 Lopes

- 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
- Autor USP: RANGEL, VICTOR LOPES - FCFRP
- Unidade: FCFRP
- DOI: 10.1126/sciadv.abf8711
- Subjects: COVID-19; CRISTALOGRAFIA DE RAIOS X; CONFORMAÇÃO PROTEICA; SIMULAÇÃO
- Language: Inglês
- Imprenta:
- Publisher place: Washington
- Date published: 2021
- Source:
- Título: Science Advances
- ISSN: 2375-2548
- Volume/Número/Paginação/Ano: v. 7, n. 16, art. eabf8711, p. 1-23, 2021
- Este periódico é de acesso aberto
- Este artigo NÃO é de acesso aberto
-
ABNT
SCHULLER, Marion et al. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Science Advances, v. 7, n. 16, p. 1-23, 2021Tradução . . Disponível em: https://doi.org/10.1126/sciadv.abf8711. Acesso em: 20 jan. 2026. -
APA
Schuller, M., Correy, G. J., Gahbauer, S., Fearon, D., Wu, T., Díaz, R. E., et al. (2021). Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Science Advances, 7( 16), 1-23. doi:10.1126/sciadv.abf8711 -
NLM
Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Carvalho Martins L, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT, Aimon A, Bennett JM, Brandao Neto J, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs MR, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ, Rack JGM, Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, O’Brien P, Jura N, Ashworth A, Irwin JJ, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking [Internet]. Science Advances. 2021 ; 7( 16): 1-23.[citado 2026 jan. 20 ] Available from: https://doi.org/10.1126/sciadv.abf8711 -
Vancouver
Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Carvalho Martins L, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT, Aimon A, Bennett JM, Brandao Neto J, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs MR, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ, Rack JGM, Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, O’Brien P, Jura N, Ashworth A, Irwin JJ, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking [Internet]. Science Advances. 2021 ; 7( 16): 1-23.[citado 2026 jan. 20 ] Available from: https://doi.org/10.1126/sciadv.abf8711 - X-ray crystallographic fragment screening against the human prion protein
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- Novel quaternary structures of the human prion protein globular domain
- Structural, biochemical and biophysical characterization of recombinant human fumarate hydratase
- Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
Informações sobre o DOI: 10.1126/sciadv.abf8711 (Fonte: oaDOI API)
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