Daan M F van Aalten

Summary

Affiliation: University of Dundee
Country: UK

Publications

  1. pmc Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility
    D M van Aalten
    W M Keck Structural Biology, Cold Spring Harbor Laboratory, New York 11724, USA
    Protein Sci 9:64-72. 2000
  2. pmc Structure of a two-domain chitotriosidase from Serratia marcescens at 1.9-A resolution
    D M van Aalten
    Biocenter Oulu, Department of Biochemistry, University of Oulu, Linnanmaa, FIN 90570 Oulu, Finland
    Proc Natl Acad Sci U S A 97:5842-7. 2000
  3. pmc Crystal structure of FadR, a fatty acid-responsive transcription factor with a novel acyl coenzyme A-binding fold
    D M van Aalten
    Wellcome Trust Biocentre, Department of Biochemistry, University of Dundee, Dow Street, Dundee DD1 5EH, UK
    EMBO J 19:5167-77. 2000
  4. pmc The structural basis of acyl coenzyme A-dependent regulation of the transcription factor FadR
    D M van Aalten
    Wellcome Trust Biocentre, Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, UK
    EMBO J 20:2041-50. 2001
  5. pmc Structural insights into the catalytic mechanism of a family 18 exo-chitinase
    D M van Aalten
    Wellcome Trust Biocentre, Department of Biochemistry, University of Dundee, Dundee DD1 5EH, Scotland
    Proc Natl Acad Sci U S A 98:8979-84. 2001
  6. ncbi request reprint Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein
    D M van Aalten
    Wellcome Trust Biocentre, Department of Biochemistry University of Dundee, Scotland
    J Mol Biol 309:181-92. 2001
  7. ncbi request reprint Engineering photocycle dynamics. Crystal structures and kinetics of three photoactive yellow protein hinge-bending mutants
    Daan M F van Aalten
    W M Keck Structural Biology, Cold Spring Harbor Laboratory, Cold Spring Harbor, New York 11724, USA
    J Biol Chem 277:6463-8. 2002
  8. ncbi request reprint Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases
    Francesco V Rao
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Chem Biol 12:65-76. 2005
  9. ncbi request reprint Siglec-7 undergoes a major conformational change when complexed with the alpha(2,8)-disialylganglioside GT1b
    Helen Attrill
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, United Kingdom
    J Biol Chem 281:32774-83. 2006
  10. pmc Structure of the LKB1-STRAD-MO25 complex reveals an allosteric mechanism of kinase activation
    Elton Zeqiraj
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Science 326:1707-11. 2009

Collaborators

Detail Information

Publications67

  1. pmc Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility
    D M van Aalten
    W M Keck Structural Biology, Cold Spring Harbor Laboratory, New York 11724, USA
    Protein Sci 9:64-72. 2000
    ..We show that these differences can be used to obtain a description of the flexibility of the protein that is consistent with the motions observed in solution...
  2. pmc Structure of a two-domain chitotriosidase from Serratia marcescens at 1.9-A resolution
    D M van Aalten
    Biocenter Oulu, Department of Biochemistry, University of Oulu, Linnanmaa, FIN 90570 Oulu, Finland
    Proc Natl Acad Sci U S A 97:5842-7. 2000
    ..Comparison of the chitinase B structure with that of chitinase A explains why these enzymes act synergistically in the degradation of chitin...
  3. pmc Crystal structure of FadR, a fatty acid-responsive transcription factor with a novel acyl coenzyme A-binding fold
    D M van Aalten
    Wellcome Trust Biocentre, Department of Biochemistry, University of Dundee, Dow Street, Dundee DD1 5EH, UK
    EMBO J 19:5167-77. 2000
    ....
  4. pmc The structural basis of acyl coenzyme A-dependent regulation of the transcription factor FadR
    D M van Aalten
    Wellcome Trust Biocentre, Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, UK
    EMBO J 20:2041-50. 2001
    ..2 A in separation of the DNA recognition helices and the loss of DNA binding, revealing the molecular basis of acyl-CoA-responsive regulation...
  5. pmc Structural insights into the catalytic mechanism of a family 18 exo-chitinase
    D M van Aalten
    Wellcome Trust Biocentre, Department of Biochemistry, University of Dundee, Dundee DD1 5EH, Scotland
    Proc Natl Acad Sci U S A 98:8979-84. 2001
    ..These changes simultaneously contribute to stabilization of the reaction intermediate and alternation of the pKa of the catalytic acid during the catalytic cycle...
  6. ncbi request reprint Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein
    D M van Aalten
    Wellcome Trust Biocentre, Department of Biochemistry University of Dundee, Scotland
    J Mol Biol 309:181-92. 2001
    ..These, together with measured binding-specificity differences, suggest that there is a potential for the design of molecules that might selectively block the acyl-CoA binding site...
  7. ncbi request reprint Engineering photocycle dynamics. Crystal structures and kinetics of three photoactive yellow protein hinge-bending mutants
    Daan M F van Aalten
    W M Keck Structural Biology, Cold Spring Harbor Laboratory, Cold Spring Harbor, New York 11724, USA
    J Biol Chem 277:6463-8. 2002
    ....
  8. ncbi request reprint Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases
    Francesco V Rao
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Chem Biol 12:65-76. 2005
    ..The data show that it may be possible to develop specific chitinase inhibitors based on the argifin/argadin scaffolds...
  9. ncbi request reprint Siglec-7 undergoes a major conformational change when complexed with the alpha(2,8)-disialylganglioside GT1b
    Helen Attrill
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, United Kingdom
    J Biol Chem 281:32774-83. 2006
    ....
  10. pmc Structure of the LKB1-STRAD-MO25 complex reveals an allosteric mechanism of kinase activation
    Elton Zeqiraj
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Science 326:1707-11. 2009
    ..The structure also reveals how mutations found in Peutz-Jeghers syndrome and in various sporadic cancers impair LKB1 function...
  11. ncbi request reprint Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding
    David Komander
    Division of Biological Chemistry and Molecular Microbiology and MRC Protein Phosphorylation Unit, MSI WTB complex, School of Life Sciences, University of Dundee, Scotland
    J Biol Chem 280:18797-802. 2005
    ..These findings reveal that the integrity of the alpha C-helix and HM-pocket in PDK1 is not regulated by T-loop phosphorylation...
  12. pmc Human OGA binds substrates in a conserved peptide recognition groove
    Marianne Schimpl
    University of Dundee, Scotland, UK
    Biochem J 432:1-7. 2010
    ....
  13. pmc Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide-binding properties
    Marianne Schimpl
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, Scotland, UK
    Biochem J 446:149-57. 2012
    ....
  14. pmc TAK1-binding protein 1 is a pseudophosphatase
    Sarah H Conner
    MRC Protein Phosphorylation Unit, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK
    Biochem J 399:427-34. 2006
    ..Thus, it appears that TAB1 is a 'pseudophosphatase', possibly binding to and regulating accessibility of phosphorylated residues on substrates downstream of TAK1 or on the TAK1 complex itself...
  15. ncbi request reprint Analysis of the LKB1-STRAD-MO25 complex
    Jerome Boudeau
    MRC Protein Phosphorylation Unit, MSI WTB complex, University of Dundee, Dow Street, Dundee, DD1 5EH, Scotland
    J Cell Sci 117:6365-75. 2004
    ..Taken together, our findings reinforce the functional importance of the binding of LKB1 to STRAD, and provide a greater understanding of the mechanism by which LKB1 is regulated and activated through its interaction with STRAD and MO25...
  16. ncbi request reprint The N-acetyl-D-glucosaminylphosphatidylinositol De-N-acetylase of glycosylphosphatidylinositol biosynthesis is a zinc metalloenzyme
    Michael D Urbaniak
    Division of Biological Chemistry and Molecular Microbiology, Wellcome Trust Biocentre, The University of Dundee, Scotland, UK
    J Biol Chem 280:22831-8. 2005
    ..The characterization of GlcNAc-PI de-N-acetylase as a zinc metalloenzyme will facilitate the rational design of anti-protozoan parasite drugs...
  17. ncbi request reprint Crystal structure of the PTPL1/FAP-1 human tyrosine phosphatase mutated in colorectal cancer: evidence for a second phosphotyrosine substrate recognition pocket
    Fabrizio Villa
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, DD1 5EH, Scotland
    J Biol Chem 280:8180-7. 2005
    ..Our studies provide the first molecular description of the PTPL1 catalytic domain and give new insight into the function of PTPL1...
  18. ncbi request reprint Screening-based discovery and structural dissection of a novel family 18 chitinase inhibitor
    Alexander W Schuttelkopf
    Division of Biological Chemistry and Molecular Microbiology, Wellcome Trust Biocentre, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, Scotland
    J Biol Chem 281:27278-85. 2006
    ..The compound exhibits favorable chemical properties and is likely to be useful as a general scaffold for development of pan-family 18 chitinase inhibitors...
  19. pmc Structural insights into the regulation of PDK1 by phosphoinositides and inositol phosphates
    David Komander
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK
    EMBO J 23:3918-28. 2004
    ....
  20. pmc Molecular mechanism of elongation factor 1A inhibition by a Legionella pneumophila glycosyltransferase
    Ramon Hurtado-Guerrero
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK
    Biochem J 426:281-92. 2010
    ....
  21. pmc Structural insights into the recognition of substrates and activators by the OSR1 kinase
    Fabrizio Villa
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK
    EMBO Rep 8:839-45. 2007
    ..These results provide the first molecular insight into the mechanism by which the SPAK and OSR1 kinases specifically recognize their upstream activators and downstream substrates...
  22. pmc ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor
    Elton Zeqiraj
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee, Scotland
    PLoS Biol 7:e1000126. 2009
    ..Thus, the function of STRADalpha is mediated through an active kinase conformation rather than kinase activity. It is possible that other pseudokinases exert their function through nucleotide binding and active conformations...
  23. pmc O-GlcNAc transferase invokes nucleotide sugar pyrophosphate participation in catalysis
    Marianne Schimpl
    College of Life Sciences, University of Dundee, Dundee, UK
    Nat Chem Biol 8:969-74. 2012
    ..This mechanism seems to be a unique evolutionary solution to the spatial constraints imposed by a bulky protein acceptor substrate and explains the unexpected specificity of a recently reported metabolic OGT inhibitor...
  24. pmc Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis
    Francesco V Rao
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee, UK
    EMBO J 25:1569-78. 2006
    ....
  25. pmc The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate
    Douglas R Houston
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, U K
    Biochem J 368:23-7. 2002
    ..The structure reveals that the cyclic dipeptide inhibits chitinases by structurally mimicking a reaction intermediate, and could, on the basis of its accessible chemistry, be a candidate for further optimization...
  26. ncbi request reprint Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine
    David E Blair
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK
    FEBS Lett 570:13-9. 2004
    ....
  27. pmc Natural product-guided discovery of a fungal chitinase inhibitor
    Christina L Rush
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee DD15EH, Scotland
    Chem Biol 17:1275-81. 2010
    ..This work provides synthetically tractable plant-type family 18 chitinase inhibitors from the repurposing of a natural product...
  28. pmc Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change
    Christine C Milburn
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK
    Biochem J 375:531-8. 2003
    ..Our data provides the first structural insight into the mechanism by which the interaction of PKB with PtdIns(3,4,5)P3/PtdIns(3,4)P2 induces conformational changes that could enable PKB to be activated by PDK1...
  29. pmc Substrate and product analogues as human O-GlcNAc transferase inhibitors
    Helge C Dorfmueller
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee, Scotland, UK
    Amino Acids 40:781-92. 2011
    ..While the novel analogues are not active on living cells, they inhibit the enzyme in the micromolar range and together with the structural data provide useful templates for further optimisation...
  30. pmc The ubiquitin-associated domain of AMPK-related kinases regulates conformation and LKB1-mediated phosphorylation and activation
    Mahaboobi Jaleel
    MRC Protein Phosphorylation Unit, MSI WTB complex, University of Dundee, Dow Street, Dundee DD1 5EH, Scotland, UK
    Biochem J 394:545-55. 2006
    ..Taken together, these findings suggest that the UBA domains of AMPK-related kinases play an important role in regulating the conformation, activation and localization of these enzymes...
  31. pmc GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation
    Helge C Dorfmueller
    University of Dundee, Scotland, UK
    Biochem J 420:221-7. 2009
    ..Thus these compounds are potent selective tools to study the cell biology of O-GlcNAc...
  32. pmc Synergy of peptide and sugar in O-GlcNAcase substrate recognition
    Marianne Schimpl
    Division of Cell Signalling and Immunology, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Chem Biol 19:173-8. 2012
    ..In addition, this work will aid development of O-GlcNAcase inhibitors that target the peptide binding site...
  33. doi request reprint Structural and kinetic differences between human and Aspergillus fumigatus D-glucosamine-6-phosphate N-acetyltransferase
    Ramon Hurtado-Guerrero
    Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK
    Biochem J 415:217-23. 2008
    ..Mutagenesis targeting these differences revealed drastic effects on steady-state kinetics, suggesting that the differences could be exploitable with small-molecule inhibitors...
  34. pmc Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases
    Helge C Dorfmueller
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee DD15EH, Scotland
    Chem Biol 17:1250-5. 2010
    ....
  35. ncbi request reprint Natural product family 18 chitinase inhibitors
    Ole A Andersen
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee, Scotland DD1 5EH
    Nat Prod Rep 22:563-79. 2005
  36. pmc Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin
    Ole A Andersen
    Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Chem Biol 15:295-301. 2008
    ..The data provide useful information that could lead to the generation of drug-like, natural product-based chitinase inhibitors...
  37. ncbi request reprint Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1
    David Komander
    Division of Biological Chemistry and Molecular Microbiology, University of Dundee, Dundee DD1 5EH, Scotland
    Structure 12:215-26. 2004
    ..A combination of site-directed mutagenesis and essential dynamics analysis gives further insight into PDK1 and also PKC inhibition by these compounds, and may aid inhibitor design...
  38. pmc Screening-based discovery of drug-like O-GlcNAcase inhibitor scaffolds
    Helge C Dorfmueller
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee, Scotland, UK
    FEBS Lett 584:694-700. 2010
    ..These scaffolds provide attractive starting points for the development of non-carbohydrate, drug-like OGA inhibitors...
  39. pmc Structural and functional characterization of a putative polysaccharide deacetylase of the human parasite Encephalitozoon cuniculi
    Jonathan E Urch
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee, Scotland
    Protein Sci 18:1197-209. 2009
    ..Thus, it appears that the ECU11_0510 protein is not a carbohydrate deacetylase and may fulfill an as yet undiscovered role in the E. cuniculi parasite...
  40. pmc Acetazolamide-based fungal chitinase inhibitors
    Alexander W Schuttelkopf
    University of Dundee, Sir James Black Centre, UK
    Bioorg Med Chem 18:8334-40. 2010
    ..Although acetazolamide and its analogues are weak inhibitors of the enzyme, they have a high ligand efficiency and as such are interesting leads for future inhibitor development...
  41. pmc Structural insights into mechanism and specificity of O-GlcNAc transferase
    Andrew J Clarke
    Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee, UK
    EMBO J 27:2780-8. 2008
    ..On the basis of the structure, we identify truncation/point mutants of the TPRs that have differential effects on activity towards proteins/peptides, giving first insights into how OGT may recognise its substrates...
  42. ncbi request reprint Structure of Saccharomyces cerevisiae chitinase 1 and screening-based discovery of potent inhibitors
    Ramon Hurtado-Guerrero
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK
    Chem Biol 14:589-99. 2007
    ..Crystal structures of ScCTS1 in complex with inhibitors from three series reveal striking mimicry of carbohydrate substrate by small aromatic moieties and a pocket that could be further exploited in optimization of these inhibitors...
  43. pmc Structural basis for UCN-01 (7-hydroxystaurosporine) specificity and PDK1 (3-phosphoinositide-dependent protein kinase-1) inhibition
    David Komander
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK
    Biochem J 375:255-62. 2003
    ..This information could lead to opportunities for structure-based optimization of PDK1 inhibitors...
  44. ncbi request reprint Structure and mechanism of chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum
    David E Blair
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Biochemistry 45:9416-26. 2006
    ..The enzyme requires occupancy of at least the 0 and +1 subsites by (GlcNAc)(2) for activity and proceeds through a tetrahedral oxyanion intermediate...
  45. pmc Structural and biochemical characterization of a trapped coenzyme A adduct of Caenorhabditis elegans glucosamine-6-phosphate N-acetyltransferase 1
    Helge C Dorfmueller
    Division of Molecular Microbiology, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Acta Crystallogr D Biol Crystallogr 68:1019-29. 2012
    ..The data unify the apparently contradictory earlier reports on the role of a cysteine in the GNA1 active site...
  46. pmc Molecular mechanisms of yeast cell wall glucan remodeling
    Ramon Hurtado-Guerrero
    Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, United Kingdom
    J Biol Chem 284:8461-9. 2009
    ....
  47. ncbi request reprint Structural basis of reduction-dependent activation of human cystatin F
    Alexander W Schuttelkopf
    Division of Biological Chemistry and Molecular Microbiology, Wellcome Trust Biocentre, School of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, Scotland
    J Biol Chem 281:16570-5. 2006
    ....
  48. ncbi request reprint Structure-based exploration of cyclic dipeptide chitinase inhibitors
    Douglas R Houston
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK
    J Med Chem 47:5713-20. 2004
    ....
  49. pmc Kinetic, inhibition and structural studies on 3-oxoacyl-ACP reductase from Plasmodium falciparum, a key enzyme in fatty acid biosynthesis
    Sasala R Wickramasinghe
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK
    Biochem J 393:447-57. 2006
    ..Hexachlorophene (EC50 6.2 microM) and analogues such as bithionol also have antimalarial activity in vitro, suggesting they might be useful leads for further development...
  50. ncbi request reprint Crystal structure of MO25 alpha in complex with the C terminus of the pseudo kinase STE20-related adaptor
    Christine C Milburn
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Nat Struct Mol Biol 11:193-200. 2004
    ....
  51. ncbi request reprint Glucose-6-phosphate as a probe for the glucosamine-6-phosphate N-acetyltransferase Michaelis complex
    Ramon Hurtado-Guerrero
    Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee, Scotland, UK
    FEBS Lett 581:5597-600. 2007
    ....
  52. doi request reprint Molecular mechanisms of O-GlcNAcylation
    Ramon Hurtado-Guerrero
    Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, United Kingdom
    Curr Opin Struct Biol 18:551-7. 2008
    ....
  53. ncbi request reprint Purification, crystallization and preliminary X-ray diffraction of a proteolytic fragment of PDK1 containing the pleckstrin homology domain
    David Komander
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    Acta Crystallogr D Biol Crystallogr 60:314-6. 2004
    ..5 A at a synchrotron source. Diffraction data collected near the Au edge resulted in an anomalous Patterson map with a 30sigma peak...
  54. pmc Discovery of catalytically active orthologues of the Parkinson's disease kinase PINK1: analysis of substrate specificity and impact of mutations
    Helen I Woodroof
    MRC Protein Phosphorylation Unit, College of Life Sciences, University of Dundee, Dundee DD1 5EH, UK
    Open Biol 1:110012. 2011
    ..Our findings will aid future studies aimed at understanding how the activity of PINK1 is regulated and the identification of physiological substrates...
  55. pmc Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor
    David E Blair
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, DD1 5EH Dundee, Scotland
    Proc Natl Acad Sci U S A 102:15429-34. 2005
    ..The data described here show that SpPgdA and the other family 4 carbohydrate esterases are metalloenzymes and present a step toward identification of mechanism-based inhibitors for this important class of enzymes...
  56. pmc Highly specific inhibition of leukaemia virus membrane fusion by interaction of peptide antagonists with a conserved region of the coiled coil of envelope
    Daniel Lamb
    The Biomedical Research Centre, College of Medicine, Ninewells Hospital, The University, Dundee, DD1 9SY, Scotland, UK
    Retrovirology 5:70. 2008
    ..For HTLV-1 and for several virus groups this process is sensitive to inhibition by peptides that mimic the C-terminal alpha-helical region of the trimer-of-hairpins...
  57. ncbi request reprint High-resolution structure of the pleckstrin homology domain of protein kinase b/akt bound to phosphatidylinositol (3,4,5)-trisphosphate
    Christine C Thomas
    Division of Biological Chemistry and Molecular Microbiology, Scotland, United Kingdom
    Curr Biol 12:1256-62. 2002
    ..The D5 phosphate faces the solvent and forms no significant interactions with any residue on the PH domain, and this explains why PKB interacts with similar affinity with both PtdIns(3,4,5)P3 and PtdIns(3,4)P2...
  58. pmc The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design
    Helen Attrill
    Division of Biological Chemistry, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK
    Biochem J 397:271-8. 2006
    ..A co-crystal of siglec-7 in complex with the sialoside inhibitor, oxamido-Neu5Ac [methyl alpha-9-(amino-oxalyl-amino)-9-deoxy-Neu5Ac] and inhibition data for the sialosides gives clear leads for future inhibitor design...
  59. ncbi request reprint Crystal structures of allosamidin derivatives in complex with human macrophage chitinase
    Francesco V Rao
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Scotland
    J Biol Chem 278:20110-6. 2003
    ..The data reported here represent a first step toward structure-based design of specific allosamidin derivatives...
  60. ncbi request reprint An efficient synthesis of argifin: a natural product chitinase inhibitor with chemotherapeutic potential
    Mark J Dixon
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, UK
    Bioorg Med Chem Lett 15:4717-21. 2005
    ....
  61. ncbi request reprint Structure of the photoactive yellow protein reconstituted with caffeic acid at 1.16 A resolution
    Daan M F van Aalten
    W M Keck Structural Biology, Cold Spring Harbor Laboratory, 1 Bungtown Road, Cold Spring Harbor, NY 11724, USA
    Acta Crystallogr D Biol Crystallogr 58:585-90. 2002
    ..In combination with available spectroscopic data, it is concluded that the caffeic acid chromophore binds to the protein in a strained conformation, which leads to a faster ejection from the chromophore-binding pocket upon pB formation...
  62. ncbi request reprint GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels
    Helge C Dorfmueller
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    J Am Chem Soc 128:16484-5. 2006
    ..This compound is able to raise O-GlcNAc levels in human HEK 293 and SH-SY5Y neuroblastoma cell lines and thus provides a novel, potent tool for the study of the role of O-GlcNAc in intracellular signal transduction pathways...
  63. ncbi request reprint Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes
    Francesco V Rao
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Scotland
    Chem Biol 12:973-80. 2005
    ..Mutagenesis identified the key active site residues, conserved in mammalian chitinases, which contribute to inhibitor affinity. Enzyme assays also revealed that these methylxanthines are active against human chitinases...
  64. ncbi request reprint Structure and ligand-induced conformational change of the 39-kDa glycoprotein from human articular chondrocytes
    Douglas R Houston
    Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland
    J Biol Chem 278:30206-12. 2003
    ..Thus, HCGP39 could be a lectin that binds chitin-like oligosaccharide ligands and possibly plays a role in innate responses to chitinous pathogens, such as fungi and nematodes...
  65. pmc Chemical dissection of the link between streptozotocin, O-GlcNAc, and pancreatic cell death
    Shalini Pathak
    Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee, Scotland
    Chem Biol 15:799-807. 2008
    ..This supports a general chemical poison mode of action for streptozotocin, suggesting the need for using more specific inhibitors to study protein O-GlcNAcylation...
  66. ncbi request reprint High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family
    Magnus S Alphey
    Division of Cell Biology and Immunology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, United Kingdom
    J Biol Chem 278:3372-7. 2003
    ..In the Siglec-7 structure, the ligand-binding pocket is occupied by a loop of a symmetry-related molecule, mimicking the interactions with sialic acid...
  67. pmc Mutation of the PDK1 PH domain inhibits protein kinase B/Akt, leading to small size and insulin resistance
    Jose R Bayascas
    MRC Protein Phosphorylation Unit, College of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, Scotland
    Mol Cell Biol 28:3258-72. 2008
    ..Our findings reveal how reduced activation of PKB isoforms impinges on downstream signaling pathways, causing diminution of size as well as insulin resistance...