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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: adams pd. Nat Commun. 2023 Mar 28;14(1):1733. doi: 10.1038/s41467-023-37254-w. Nat Commun. 2023. PMID: 36977673 Free PMC article.
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: adams pd. 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: adams pd. 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.
Interpretation of ensembles created by multiple iterative rebuilding of macromolecular models.
Terwilliger TC, Grosse-Kunstleve RW, Afonine PV, Adams PD, Moriarty NW, Zwart P, Read RJ, Turk D, Hung LW. Terwilliger TC, et al. Among authors: adams pd. Acta Crystallogr D Biol Crystallogr. 2007 May;63(Pt 5):597-610. doi: 10.1107/S0907444907009791. Epub 2007 Apr 21. Acta Crystallogr D Biol Crystallogr. 2007. PMID: 17452785 Free PMC article.
Automated structure solution with the PHENIX suite.
Zwart PH, Afonine PV, Grosse-Kunstleve RW, Hung LW, Ioerger TR, McCoy AJ, McKee E, Moriarty NW, Read RJ, Sacchettini JC, Sauter NK, Storoni LC, Terwilliger TC, Adams PD. Zwart PH, et al. Among authors: adams pd. Methods Mol Biol. 2008;426:419-35. doi: 10.1007/978-1-60327-058-8_28. Methods Mol Biol. 2008. PMID: 18542881 Free 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: adams pd. 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.
489 results