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Items: 31

1.

A Novel Small-Molecule Inhibitor of MRCK Prevents Radiation-Driven Invasion in Glioblastoma.

Birch JL, Strathdee K, Gilmour L, Vallatos A, McDonald L, Kouzeli A, Vasan R, Qaisi AH, Croft DR, Crighton D, Gill K, Gray CH, Konczal J, Mezna M, McArthur D, Schüttelkopf AW, McConnell P, Sime M, Holmes WM, Bower J, McKinnon HJ, Drysdale M, Olson MF, Chalmers AJ.

Cancer Res. 2018 Nov 15;78(22):6509-6522. doi: 10.1158/0008-5472.CAN-18-1697. Epub 2018 Oct 2.

PMID:
30279244
2.

Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.

Unbekandt M, Belshaw S, Bower J, Clarke M, Cordes J, Crighton D, Croft DR, Drysdale MJ, Garnett MJ, Gill K, Gray C, Greenhalgh DA, Hall JAM, Konczal J, Lilla S, McArthur D, McConnell P, McDonald L, McGarry L, McKinnon H, McMenemy C, Mezna M, Morrice NA, Munro J, Naylor G, Rath N, Schüttelkopf AW, Sime M, Olson MF.

Cancer Res. 2018 Apr 15;78(8):2096-2114. doi: 10.1158/0008-5472.CAN-17-2870. Epub 2018 Jan 30.

3.

A novel small-molecule MRCK inhibitor blocks cancer cell invasion.

Unbekandt M, Croft DR, Crighton D, Mezna M, McArthur D, McConnell P, Schüttelkopf AW, Belshaw S, Pannifer A, Sime M, Bower J, Drysdale M, Olson MF.

Cell Commun Signal. 2014 Oct 5;12:54. doi: 10.1186/s12964-014-0054-x.

4.

Structure of a bacterial putative acetyltransferase defines the fold of the human O-GlcNAcase C-terminal domain.

Rao FV, Schüttelkopf AW, Dorfmueller HC, Ferenbach AT, Navratilova I, van Aalten DM.

Open Biol. 2013 Oct 2;3(10):130021. doi: 10.1098/rsob.130021.

5.

Yeast Mnn9 is both a priming glycosyltransferase and an allosteric activator of mannan biosynthesis.

Striebeck A, Robinson DA, Schüttelkopf AW, van Aalten DM.

Open Biol. 2013 Sep 11;3(9):130022. doi: 10.1098/rsob.130022.

6.

O-GlcNAc transferase invokes nucleotide sugar pyrophosphate participation in catalysis.

Schimpl M, Zheng X, Borodkin VS, Blair DE, Ferenbach AT, Schüttelkopf AW, Navratilova I, Aristotelous T, Albarbarawi O, Robinson DA, Macnaughtan MA, van Aalten DM.

Nat Chem Biol. 2012 Dec;8(12):969-74. doi: 10.1038/nchembio.1108. Epub 2012 Oct 28.

7.

The structure of the ternary Eg5-ADP-ispinesib complex.

Talapatra SK, Schüttelkopf AW, Kozielski F.

Acta Crystallogr D Biol Crystallogr. 2012 Oct;68(Pt 10):1311-9. Epub 2012 Sep 13.

8.

Bisdionin C-a rationally designed, submicromolar inhibitor of family 18 chitinases.

Schüttelkopf AW, Andersen OA, Rao FV, Allwood M, Rush CL, Eggleston IM, van Aalten DM.

ACS Med Chem Lett. 2011 Mar 23;2(6):428-32. doi: 10.1021/ml200008b. eCollection 2011 Jun 9.

9.

Charge-surrounded pockets and electrostatic interactions with small ions modulate the activity of retroviral fusion proteins.

Lamb D, Schüttelkopf AW, van Aalten DM, Brighty DW.

PLoS Pathog. 2011 Feb 3;7(2):e1001268. doi: 10.1371/journal.ppat.1001268.

10.

Natural product-guided discovery of a fungal chitinase inhibitor.

Rush CL, Schüttelkopf AW, Hurtado-Guerrero R, Blair DE, Ibrahim AF, Desvergnes S, Eggleston IM, van Aalten DM.

Chem Biol. 2010 Dec 22;17(12):1275-81. doi: 10.1016/j.chembiol.2010.07.018.

11.

Acetazolamide-based fungal chitinase inhibitors.

Schüttelkopf AW, Gros L, Blair DE, Frearson JA, van Aalten DM, Gilbert IH.

Bioorg Med Chem. 2010 Dec 1;18(23):8334-40. doi: 10.1016/j.bmc.2010.09.062. Epub 2010 Oct 8.

12.

Human OGA binds substrates in a conserved peptide recognition groove.

Schimpl M, Schüttelkopf AW, Borodkin VS, van Aalten DM.

Biochem J. 2010 Nov 15;432(1):1-7. doi: 10.1042/BJ20101338.

13.

ALINE: a WYSIWYG protein-sequence alignment editor for publication-quality alignments.

Bond CS, Schüttelkopf AW.

Acta Crystallogr D Biol Crystallogr. 2009 May;65(Pt 5):510-2. doi: 10.1107/S0907444909007835. Epub 2009 Apr 18.

PMID:
19390156
14.

Molecular mechanisms of yeast cell wall glucan remodeling.

Hurtado-Guerrero R, Schüttelkopf AW, Mouyna I, Ibrahim AF, Shepherd S, Fontaine T, Latgé JP, van Aalten DM.

J Biol Chem. 2009 Mar 27;284(13):8461-9. doi: 10.1074/jbc.M807990200. Epub 2008 Dec 19.

15.

Structural insights into mechanism and specificity of O-GlcNAc transferase.

Clarke AJ, Hurtado-Guerrero R, Pathak S, Schüttelkopf AW, Borodkin V, Shepherd SM, Ibrahim AF, van Aalten DM.

EMBO J. 2008 Oct 22;27(20):2780-8. doi: 10.1038/emboj.2008.186. Epub 2008 Sep 25.

16.

Highly specific inhibition of leukaemia virus membrane fusion by interaction of peptide antagonists with a conserved region of the coiled coil of envelope.

Lamb D, Schüttelkopf AW, van Aalten DM, Brighty DW.

Retrovirology. 2008 Aug 4;5:70. doi: 10.1186/1742-4690-5-70.

17.

TAK1-binding protein 1 is a pseudophosphatase.

Conner SH, Kular G, Peggie M, Shepherd S, Schüttelkopf AW, Cohen P, Van Aalten DM.

Biochem J. 2006 Nov 1;399(3):427-34.

18.

Structure and mechanism of chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum.

Blair DE, Hekmat O, Schüttelkopf AW, Shrestha B, Tokuyasu K, Withers SG, van Aalten DM.

Biochemistry. 2006 Aug 8;45(31):9416-26.

PMID:
16878976
19.

Screening-based discovery and structural dissection of a novel family 18 chitinase inhibitor.

Schüttelkopf AW, Andersen OA, Rao FV, Allwood M, Lloyd C, Eggleston IM, van Aalten DM.

J Biol Chem. 2006 Sep 15;281(37):27278-85. Epub 2006 Jul 14.

20.

Structural basis of reduction-dependent activation of human cystatin F.

Schüttelkopf AW, Hamilton G, Watts C, van Aalten DM.

J Biol Chem. 2006 Jun 16;281(24):16570-5. Epub 2006 Apr 6.

21.

Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.

Blair DE, Schüttelkopf AW, MacRae JI, van Aalten DM.

Proc Natl Acad Sci U S A. 2005 Oct 25;102(43):15429-34. Epub 2005 Oct 12.

22.
23.

PRODRG: a tool for high-throughput crystallography of protein-ligand complexes.

Schüttelkopf AW, van Aalten DM.

Acta Crystallogr D Biol Crystallogr. 2004 Aug;60(Pt 8):1355-63. Epub 2004 Jul 21.

PMID:
15272157
24.

Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1.

Komander D, Kular GS, Schüttelkopf AW, Deak M, Prakash KR, Bain J, Elliott M, Garrido-Franco M, Kozikowski AP, Alessi DR, van Aalten DM.

Structure. 2004 Feb;12(2):215-26.

25.

Targeting metabolic pathways in microbial pathogens: oxidative stress and anti-folate drug resistance in trypanosomatids.

Hunter WN, Alphey MS, Bond CS, Schüttelkopf AW.

Biochem Soc Trans. 2003 Jun;31(Pt 3):607-10. Review.

PMID:
12773165
26.

Insight into the role of Escherichia coli MobB in molybdenum cofactor biosynthesis based on the high resolution crystal structure.

McLuskey K, Harrison JA, Schuttelkopf AW, Boxer DH, Hunter WN.

J Biol Chem. 2003 Jun 27;278(26):23706-13. Epub 2003 Apr 7.

27.

Crystal structure of activated ModE reveals conformational changes involving both oxyanion and DNA-binding domains.

Schüttelkopf AW, Boxer DH, Hunter WN.

J Mol Biol. 2003 Feb 21;326(3):761-7.

PMID:
12581638
28.

Passive acquisition of ligand by the MopII molbindin from Clostridium pasteurianum: structures of apo and oxyanion-bound forms.

Schüttelkopf AW, Harrison JA, Boxer DH, Hunter WN.

J Biol Chem. 2002 Apr 26;277(17):15013-20. Epub 2002 Feb 8.

29.

Crystallization and X-ray diffraction measurements on recombinant molbindin, MopII, from Clostridium pasteurianum.

Harrison JA, Schüttelkopf AW, Boxer DH, Hunter WN.

Acta Crystallogr D Biol Crystallogr. 2001 Nov;57(Pt 11):1715-7. Epub 2001 Oct 25.

PMID:
11679755
30.

Pteridine reductase mechanism correlates pterin metabolism with drug resistance in trypanosomatid parasites.

Gourley DG, Schüttelkopf AW, Leonard GA, Luba J, Hardy LW, Beverley SM, Hunter WN.

Nat Struct Biol. 2001 Jun;8(6):521-5.

PMID:
11373620
31.

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