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Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Sanders BC, Pokhrel S, Labbe AD, Mathews II, Cooper CJ, Davidson RB, Phillips G, Weiss KL, Zhang Q, O'Neill H, Kaur M, Schmidt JG, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner DE, Kumaran D, Andi B, Babnigg G, Moriarty NW, Adams PD, Joachimiak A, Hurst BL, Kumar S, Butt TR, Jonsson CB, Ferrins L, Wakatsuki S, Galanie S, Head MS, Parks JM. Sanders BC, et al. Among authors: moriarty nw. Nat Commun. 2023 Mar 28;14(1):1733. doi: 10.1038/s41467-023-37254-w. Nat Commun. 2023. PMID: 36977673 Free PMC article.
Azasugar inhibitors as pharmacological chaperones for Krabbe disease.
Hill CH, Viuff AH, Spratley SJ, Salamone S, Christensen SH, Read RJ, Moriarty NW, Jensen HH, Deane JE. Hill CH, et al. Among authors: moriarty nw. Chem Sci. 2015 May 20;6(5):3075-3086. doi: 10.1039/c5sc00754b. Epub 2015 Mar 30. Chem Sci. 2015. PMID: 26029356 Free PMC article.
Real-space quantum-based refinement for cryo-EM: Q|R#3.
Wang L, Kruse H, Sobolev OV, Moriarty NW, Waller MP, Afonine PV, Biczysko M. Wang L, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2020 Dec 1;76(Pt 12):1184-1191. doi: 10.1107/S2059798320013194. Epub 2020 Nov 19. Acta Crystallogr D Struct Biol. 2020. PMID: 33263324
Including crystallographic symmetry in quantum-based refinement: Q|R#2.
Zheng M, Biczysko M, Xu Y, Moriarty NW, Kruse H, Urzhumtsev A, Waller MP, Afonine PV. Zheng M, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2020 Jan 1;76(Pt 1):41-50. doi: 10.1107/S2059798319015122. Epub 2020 Jan 1. Acta Crystallogr D Struct Biol. 2020. PMID: 31909742
Automated ligand fitting by core-fragment fitting and extension into density.
Terwilliger TC, Klei H, Adams PD, Moriarty NW, Cohn JD. Terwilliger TC, et al. Among authors: moriarty nw. Acta Crystallogr D Biol Crystallogr. 2006 Aug;62(Pt 8):915-22. doi: 10.1107/S0907444906017161. Epub 2006 Jul 18. Acta Crystallogr D Biol Crystallogr. 2006. PMID: 16855309 Free PMC article.
Ligand identification using electron-density map correlations.
Terwilliger TC, Adams PD, Moriarty NW, Cohn JD. Terwilliger TC, et al. Among authors: moriarty nw. Acta Crystallogr D Biol Crystallogr. 2007 Jan;63(Pt 1):101-7. doi: 10.1107/S0907444906046233. Epub 2006 Dec 13. Acta Crystallogr D Biol Crystallogr. 2007. PMID: 17164532 Free PMC article.
Joint X-ray and neutron refinement with phenix.refine.
Afonine PV, Mustyakimov M, Grosse-Kunstleve RW, Moriarty NW, Langan P, Adams PD. Afonine PV, et al. Among authors: moriarty nw. Acta Crystallogr D Biol Crystallogr. 2010 Nov;66(Pt 11):1153-63. doi: 10.1107/S0907444910026582. Epub 2010 Oct 20. Acta Crystallogr D Biol Crystallogr. 2010. PMID: 21041930 Free PMC article.
Ligand placement based on prior structures: the guided ligand-replacement method.
Klei HE, Moriarty NW, Echols N, Terwilliger TC, Baldwin ET, Pokross M, Posy S, Adams PD. Klei HE, et al. Among authors: moriarty nw. Acta Crystallogr D Biol Crystallogr. 2014 Jan;70(Pt 1):134-43. doi: 10.1107/S1399004713030071. Epub 2013 Dec 25. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 24419386 Free PMC article.
66 results