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High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
Newman H, Krajnc A, Bellini D, Eyermann CJ, Boyle GA, Paterson NG, McAuley KE, Lesniak R, Gangar M, von Delft F, Brem J, Chibale K, Schofield CJ, Dowson CG. Newman H, et al. Among authors: mcauley ke. J Med Chem. 2021 Aug 12;64(15):11379-11394. doi: 10.1021/acs.jmedchem.1c00717. Epub 2021 Jul 31. J Med Chem. 2021. PMID: 34337941 Free PMC article.
Application of in situ diffraction in high-throughput structure determination platforms.
Aller P, Sanchez-Weatherby J, Foadi J, Winter G, Lobley CM, Axford D, Ashton AW, Bellini D, Brandao-Neto J, Culurgioni S, Douangamath A, Duman R, Evans G, Fisher S, Flaig R, Hall DR, Lukacik P, Mazzorana M, McAuley KE, Mykhaylyk V, Owen RL, Paterson NG, Romano P, Sandy J, Sorensen T, von Delft F, Wagner A, Warren A, Williams M, Stuart DI, Walsh MA. Aller P, et al. Among authors: mcauley ke. Methods Mol Biol. 2015;1261:233-53. doi: 10.1007/978-1-4939-2230-7_13. Methods Mol Biol. 2015. PMID: 25502203 Review.
Where is crystallography going?
Grimes JM, Hall DR, Ashton AW, Evans G, Owen RL, Wagner A, McAuley KE, von Delft F, Orville AM, Sorensen T, Walsh MA, Ginn HM, Stuart DI. Grimes JM, et al. Among authors: mcauley ke. Acta Crystallogr D Struct Biol. 2018 Feb 1;74(Pt 2):152-166. doi: 10.1107/S2059798317016709. Epub 2018 Feb 1. Acta Crystallogr D Struct Biol. 2018. PMID: 29533241 Free PMC article. Review.
How best to use photons.
Winter G, Gildea RJ, Paterson NG, Beale J, Gerstel M, Axford D, Vollmar M, McAuley KE, Owen RL, Flaig R, Ashton AW, Hall DR. Winter G, et al. Among authors: mcauley ke. Acta Crystallogr D Struct Biol. 2019 Mar 1;75(Pt 3):242-261. doi: 10.1107/S2059798319003528. Epub 2019 Mar 19. Acta Crystallogr D Struct Biol. 2019. PMID: 30950396 Free PMC article.
Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.
Kidd SL, Fowler E, Reinhardt T, Compton T, Mateu N, Newman H, Bellini D, Talon R, McLoughlin J, Krojer T, Aimon A, Bradley A, Fairhead M, Brear P, Díaz-Sáez L, McAuley K, Sore HF, Madin A, O'Donovan DH, Huber KVM, Hyvönen M, von Delft F, Dowson CG, Spring DR. Kidd SL, et al. Chem Sci. 2020 May 14;11(39):10792-10801. doi: 10.1039/d0sc01232g. Chem Sci. 2020. PMID: 34094333 Free PMC article.
Picornavirus uncoating intermediate captured in atomic detail.
Ren J, Wang X, Hu Z, Gao Q, Sun Y, Li X, Porta C, Walter TS, Gilbert RJ, Zhao Y, Axford D, Williams M, McAuley K, Rowlands DJ, Yin W, Wang J, Stuart DI, Rao Z, Fry EE. Ren J, et al. Nat Commun. 2013;4:1929. doi: 10.1038/ncomms2889. Nat Commun. 2013. PMID: 23728514 Free PMC article.
SynchWeb: a modern interface for ISPyB.
Fisher SJ, Levik KE, Williams MA, Ashton AW, McAuley KE. Fisher SJ, et al. Among authors: mcauley ke. J Appl Crystallogr. 2015 Apr 25;48(Pt 3):927-932. doi: 10.1107/S1600576715004847. eCollection 2015 Jun 1. J Appl Crystallogr. 2015. PMID: 26089766 Free PMC article.
34 results