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Structure and function of the oxidoreductase DsbA1 from Neisseria meningitidis.
Vivian JP, Scoullar J, Rimmer K, Bushell SR, Beddoe T, Wilce MC, Byres E, Boyle TP, Doak B, Simpson JS, Graham B, Heras B, Kahler CM, Rossjohn J, Scanlon MJ. Vivian JP, et al. J Mol Biol. 2009 Dec 18;394(5):931-43. doi: 10.1016/j.jmb.2009.09.065. Epub 2009 Oct 6. J Mol Biol. 2009. PMID: 19815019
Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA.
Adams LA, Sharma P, Mohanty B, Ilyichova OV, Mulcair MD, Williams ML, Gleeson EC, Totsika M, Doak BC, Caria S, Rimmer K, Horne J, Shouldice SR, Vazirani M, Headey SJ, Plumb BR, Martin JL, Heras B, Simpson JS, Scanlon MJ. Adams LA, et al. Among authors: doak bc. Angew Chem Int Ed Engl. 2015 Feb 9;54(7):2179-84. doi: 10.1002/anie.201410341. Epub 2014 Dec 30. Angew Chem Int Ed Engl. 2015. PMID: 25556635
The ways and means of fragment-based drug design.
Doak BC, Norton RS, Scanlon MJ. Doak BC, et al. Pharmacol Ther. 2016 Nov;167:28-37. doi: 10.1016/j.pharmthera.2016.07.003. Epub 2016 Jul 22. Pharmacol Ther. 2016. PMID: 27452339 Review.
Design of a Fragment-Screening Library.
Taylor A, Doak BC, Scanlon MJ. Taylor A, et al. Among authors: doak bc. Methods Enzymol. 2018;610:97-115. doi: 10.1016/bs.mie.2018.09.018. Epub 2018 Oct 19. Methods Enzymol. 2018. PMID: 30390807
A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor α agonists.
Patil R, Mohanty B, Liu B, Chandrashekaran IR, Headey SJ, Williams ML, Clements CS, Ilyichova O, Doak BC, Genissel P, Weaver RJ, Vuillard L, Halls ML, Porter CJH, Scanlon MJ. Patil R, et al. Among authors: doak bc. J Biol Chem. 2019 Mar 8;294(10):3720-3734. doi: 10.1074/jbc.RA118.006848. Epub 2018 Dec 31. J Biol Chem. 2019. PMID: 30598509 Free PMC article.
Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
Bentley MR, Ilyichova OV, Wang G, Williams ML, Sharma G, Alwan WS, Whitehouse RL, Mohanty B, Scammells PJ, Heras B, Martin JL, Totsika M, Capuano B, Doak BC, Scanlon MJ. Bentley MR, et al. Among authors: doak bc. J Med Chem. 2020 Jul 9;63(13):6863-6875. doi: 10.1021/acs.jmedchem.0c00111. Epub 2020 Jun 24. J Med Chem. 2020. PMID: 32529824
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