Simpson JS - Search Results

1

The structure of integrin α1I domain in complex with a collagen-mimetic peptide.

Chin YK, Headey SJ, Mohanty B, Patil R, McEwan PA, Swarbrick JD, Mulhern TD, Emsley J, Simpson JS, Scanlon MJ. Chin YK, et al. Among authors: simpson js. J Biol Chem. 2013 Dec 27;288(52):36796-809. doi: 10.1074/jbc.M113.480251. Epub 2013 Nov 1. J Biol Chem. 2013. PMID: 24187131 Free PMC article.

2

The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes.

Paxman JJ, Borg NA, Horne J, Thompson PE, Chin Y, Sharma P, Simpson JS, Wielens J, Piek S, Kahler CM, Sakellaris H, Pearce M, Bottomley SP, Rossjohn J, Scanlon MJ. Paxman JJ, et al. Among authors: simpson js. J Biol Chem. 2009 Jun 26;284(26):17835-45. doi: 10.1074/jbc.M109.011502. Epub 2009 Apr 22. J Biol Chem. 2009. PMID: 19389711 Free PMC article.

3

Assignments of human integrin α1I domain in the apo and Mg²⁺ bound states.

Chin YK, Headey S, Mohanty B, Emsley J, Simpson JS, Scanlon MJ. Chin YK, et al. Among authors: simpson js. Biomol NMR Assign. 2014 Apr;8(1):117-21. doi: 10.1007/s12104-013-9465-7. Epub 2013 Jan 22. Biomol NMR Assign. 2014. PMID: 23339031

4

Molecular insights into the interaction between Plasmodium falciparum apical membrane antigen 1 and an invasion-inhibitory peptide.

Wang G, MacRaild CA, Mohanty B, Mobli M, Cowieson NP, Anders RF, Simpson JS, McGowan S, Norton RS, Scanlon MJ. Wang G, et al. Among authors: simpson js. PLoS One. 2014 Oct 24;9(10):e109674. doi: 10.1371/journal.pone.0109674. eCollection 2014. PLoS One. 2014. PMID: 25343578 Free PMC article.

5

Structure-Activity Studies of β-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.

Wang G, Drinkwater N, Drew DR, MacRaild CA, Chalmers DK, Mohanty B, Lim SS, Anders RF, Beeson JG, Thompson PE, McGowan S, Simpson JS, Norton RS, Scanlon MJ. Wang G, et al. Among authors: simpson js. J Mol Biol. 2016 Oct 9;428(20):3986-3998. doi: 10.1016/j.jmb.2016.07.001. Epub 2016 Jul 14. J Mol Biol. 2016. PMID: 27422009

6

Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.

Mohanty B, Williams ML, Doak BC, Vazirani M, Ilyichova O, Wang G, Bermel W, Simpson JS, Chalmers DK, King GF, Mobli M, Scanlon MJ. Mohanty B, et al. Among authors: simpson js. J Biomol NMR. 2016 Nov;66(3):195-208. doi: 10.1007/s10858-016-0067-4. Epub 2016 Oct 24. J Biomol NMR. 2016. PMID: 27778134

7

Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.

Mohanty B, Rimmer K, McMahon RM, Headey SJ, Vazirani M, Shouldice SR, Coinçon M, Tay S, Morton CJ, Simpson JS, Martin JL, Scanlon MJ. Mohanty B, et al. Among authors: simpson js. PLoS One. 2017 Mar 27;12(3):e0173436. doi: 10.1371/journal.pone.0173436. eCollection 2017. PLoS One. 2017. PMID: 28346540 Free PMC article.

8

Backbone assignments of the 34 kDa ketopantoate reductase from E. coli.

Headey SJ, Vom A, Simpson JS, Scanlon MJ. Headey SJ, et al. Among authors: simpson js. Biomol NMR Assign. 2008 Jun;2(1):93-6. doi: 10.1007/s12104-008-9093-9. Epub 2008 Apr 26. Biomol NMR Assign. 2008. PMID: 19636932

9

Synthesis of unsymmetrical 1,1'-disubstituted bis(1,2,3-triazole)s using monosilylbutadiynes.

Doak BC, Scanlon MJ, Simpson JS. Doak BC, et al. Among authors: simpson js. Org Lett. 2011 Feb 4;13(3):537-9. doi: 10.1021/ol102852z. Epub 2011 Jan 12. Org Lett. 2011. PMID: 21226513

10

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: simpson js. 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

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