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Publications


1995

  1. D.M.F. van Aalten, A. Amadei, A.B.M. Linssen, V.G.H. Eijsink, G. Vriend, and H.J.C. Berendsen, "The essential dynamics of thermolysin - confirmation of the hinge-bending motion and comparison of simulations in vacuum and water", Proteins (1995), 22, 45-54.
  2. D.M.F. van Aalten, J.B.C. Findlay, A. Amadei, and H.J.C. Berendsen, "Essential dynamics of the cellular retinol-binding protein - evidence for ligand-induced conformational changes", Prot. Engng. (1995), 8, 1129-1135


    3. 1996

  3. D.M.F. van Aalten, A. Amadei, R. Bywater, J.B.C. Findlay, H.J.C. Berendsen, C. Sander, and P.F.W. Stouten, "A comparison of structural and dynamic properties of different simulation methods applied to SH3", Biophys. J. (1996), 70, 684-692.
  4. A. Amadei, A.B.M. Linssen, B.L. de Groot, D.M.F. van Aalten, and H.J.C. Berendsen, "An efficient method for sampling the essential subspace of proteins", J. Biomol. Str. Dyn. (1996), 13, 615-625.
  5. B.L. de Groot, A. Amadei, D.M.F. van Aalten, and H.J.C. Berendsen, "Towards an exhaustive sampling of the configurational spaces of the two forms of the peptide hormone guanylin", J. Biomol. Str. Dyn. (1996), 13, 741-751.
  6. D.M.F. van Aalten, R. Bywater, J.B.C. Findlay, M. Hendlich, R.W.W. Hooft, and G. Vriend, "PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules", JCAMD (1996), 10, 255-262. Postscript
  7. B.L. de Groot, D.M.F. van Aalten, A. Amadei, and H.J.C. Berendsen, "The consistency of large concerted motions in proteins in molecular dynamics simulations", Biophys. J. (1996), 71, 1707-1713. PDF
  8. D.M.F. van Aalten, B.L. de Groot, H.J.C. Berendsen, and J.B.C. Findlay, "Conformational analysis of retinoids and restriction of their dynamics by retinoid-binding proteins", Biochem. J. (1996), 319, 543-550. PDF
  9. G.H. Peters, D.M.F. van Aalten, O. Edholm, S. Toxvaerd, and R. Bywater, "Dynamics of proteins in different solvent systems: Analysis of essential motion in lipases", Biophys. J. (1996), 71, 2245-2255.


    10. 1997

  10. D.M.F. van Aalten, B.L. de Groot, J.B.C. Findlay, H.J.C. Berendsen, and A. Amadei, "A comparison of techniques for calculating protein essential dynamics", J. Comp. Chem. (1997), 18, 169-181. PDF
  11. D.M.F. van Aalten, P.C. Jones, M. de Sousa, and J.B.C. Findlay, "Engineering protein mechanics: inhibition of concerted motions of the cellular retinol binding protein by site-directed mutagenesis", Prot. Engng. (1997), 10, 31-37. PDF
  12. G.H. Peters, D.M.F. van Aalten, A. Svendsen, and R. Bywater, "Essential dynamics of lipase binding sites: the effect of inhibitors of different chain length", Prot. Engng. (1997), 10, 149-158. PDF
  13. L.V. Mello, D.M.F. van Aalten, and J.B.C. Findlay, "Comparison of ras-p21 bound to GDP and GTP: differences in protein and ligand dynamics", Prot. Engng. (1997), 10, 381-387. PDF
  14. B.L. de Groot, D.M.F. van Aalten, R.M. Scheek, A. Amadei, G. Vriend, and H.J.C. Berendsen, "Prediction of protein conformational freedom from distance constraints", Proteins (1997), 29, 240-251. PDF
  15. D.M.F. van Aalten, D.A. Conn, B.L. de Groot, H.J.C. Berendsen, J.B.C. Findlay, and A. Amadei, "Protein dynamics derived from clusters of crystal structures", Biophys. J. (1997), 73, 2891-2896. PDF


    16. 1998

  16. L.V. Mello, D.M.F. van Aalten, and J.B.C. Findlay, "Dynamic properties of the guanine nucleotide binding protein alpha subunit and comparison of its guanosine triphosphate hydrolase domain with that of ras-p21", Biochemistry (1998), 37, 3137-3142. PDF
  17. B.L. de Groot, S. Hayward, D.M.F. van Aalten, A. Amadei, and H.J.C. Berendsen, "Domain motions in bacteriophage T4 lysozyme: A comparison between molecular dynamics and crystallographic data", Proteins (1998), 31, 116-127. PDF
  18. H. Yamaguchi, D.M.F. van Aalten, M. Pinak, A. Furukawa, and R. Osman, "Essential dynamics of DNA containing a cis.syn cyclobutane thymine dimer lesion", Nucl. Acids Res. (1998), 26, 1939-1946. PDF
  19. D.M.F. van Aalten, E. Grotewold, and L. Joshua-Tor, "Essential dynamics from NMR clusters: dynamic properties of the Myb DNA-binding domain and a hinge-bending enhancing variant", Methods (1998), 14, 318-328. PDF
  20. R. Kort, M.K. Phillips-Jones, D.M.F. van Aalten, A. Haker, S.M. Hoffer, K.J. Hellingwerf, and W. Crielaard, "Sequence, chromophore extraction and 3-D model of the photoactive yellow protein from Rhodobacter sphaeroides", Biochim. Biophys. Acta (1998), 1385, 1-6. PDF
  21. M. Sundaram, A. Sivaprasadarao, D.M.F. van Aalten, and J.B.C. Findlay, "Expression, characterization and engineered specificity of rat epididymal retinoic acid-binding protein", Biochem. J. (1998), 334, 155-160. PDF
  22. D.M.F. van Aalten, W.D. Hoff, J.B.C. Findlay, W. Crielaard, and K.J. Hellingwerf, "Concerted motions in the photoactive yellow protein", Prot. Engng. (1998), 11, 873-879. PDF


    23. 1999

  23. P.-L. Chau, D.M.F. van Aalten, J.B.C. Findlay, and R.P. Bywater, "Functional concerted motions in the bovine serum retinol-binding protein", JCAMD (1999), 13, 11-20.
  24. D.M.F. van Aalten, D.A. Erlanson, G.L. Verdine, and L. Joshua-Tor, "A structural snapshot of base-pair opening in DNA", Proc. Natl. Acad. Sci. USA (1999), 96, 11809-1814. PDF


    25. 2000

  25. D.M.F. van Aalten, W. Crielaard, K.J. Hellingwerf, and L. Joshua-Tor, "Conformational substates in different crystal forms of the photoactive yellow protein - correlation with theoretical and experimental flexibility", Protein Science (2000), 9, 64-72. PDF
  26. P.J.L. Werten, B. Roll, D.M.F. van Aalten, and W.W. de Jong, "Gecko iota-crystallin: How cellular retinol-binding protein became an eye lens ultraviolet filter", Proc. Natl. Acad. Sci. USA (2000), 97, 3282-3287. PDF
  27. D.M.F. van Aalten, J.Knudsen, C.C. DiRusso, T. Kokko, and R. Wierenga, "Crystallization and X-ray diffraction studies of the fatty acid responsive transcription factor FadR from Escherichia coli", Acta Cryst. (2000), D56, 469-471. PDF
  28. D.M.F. van Aalten, B. Synstad, M.B. Brurberg, E. Hough, B.W. Riise, V.G.H. Eijsink, and R.K. Wierenga, "Structure of a two-domain chitotriosidase from Serratia marcescens at 1.9 Å resolution", Proc. Natl. Acad. Sci. USA (2000), 97, 5842-5847. PDF
  29. A.M. Mursula, D.M.F. van Aalten, Y. Modis, J. K. Hiltunen, and R.K. Wierenga, "Crystallization and X-ray diffraction analysis of peroxisomal D3-D2-enoyl-CoA isomerase from Saccharomyces cerevisiae", Acta Cryst. (2000), D56, 1020-1023. PDF
  30. D.M.F. van Aalten, C.R. Chong, and L. Joshua-Tor, "Crystal structure of carboxypeptidase A complexed with D-cysteine at 1.75 Å - Inhibitor-induced conformational changes", Biochemistry (2000), 39, 10082-10089. PDF
  31. D.M.F. van Aalten, C.C. DiRusso, J. Knudsen, and R.K. Wierenga, "Crystal structure of FadR, a fatty acid-responsive transcription factor with a novel acyl coenzyme A-binding fold", EMBO J. (2000), 19, 5167-5177. PDF


    32. 2001

  32. D.M.F. van Aalten, K.G. Milne, J. Y. Zou, G.J. Kleywegt, T. Bergfors, M.A.J. Ferguson, J. Knudsen, and T.A. Jones, "Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein", J. Mol. Biol. (2001), 309, 181-192. PDF
  33. D.M.F. van Aalten, C.C. DiRusso, and J. Knudsen, "The structural basis of acyl coenzyme A-dependent regulation of the transcription factor FadR", EMBO J. (2001), 20, 2041-2050. PDF
  34. M.A.M. van Boekel, D.M.F. van Aalten, G.-J. Caspers, B. Roll, and W.W. de Jong, "Evolution of the aldose reductase-related gecko eye lens protein rho-B-crystallin: a sheep in wolf's clothing", J. Mol. Evol. (2001), 52, 239-248. PDF
  35. A.M. Mursula, D.M.F. van Aalten, J.K. Hiltunen, and R.K. Wierenga, "The crystal structure of D3-D2-enoyl-CoA isomerase", J. Mol. Biol. (2001), 309, 845-853. PDF
  36. D.M.F. van Aalten, D. Komander, B. Synstad, S. Gåseidnes, M.G. Peter, and V.G.H. Eijsink, "Structural insights into the catalytic mechanism of a family 18exo-chitinase", Proc. Natl. Acad. Sci. USA (2001), 98, 8979-8984. PDF
  37. M.B. Brurberg, B. Synstad, S.S. Klemsdal, D.M.F. van Aalten, L. Sundheim, and V.G.H. Eijsink, "Chitinases from Serratia marcescens", Recent Res. Devel. Microbiology (2001), 5, 187-204. PDF
  38. C.C. Thomas, S.J. Dowler, M. Deak, D.R. Alessi, and D.M.F. van Aalten, "Crystal structure of the phosphatidylinositol (3,4)-bisphosphatebinding PH domain of TAPP1 - molecular basis of lipid specificity", Biochem. J. (2001), 358, 287-294. PDF
  39. A.M. Haapalainen, D.M.F. van Aalten, G. Meriläinen, J.E. Jalonen, R.K. Wierenga, J.K. Hiltunen, and T. Glumoff, "Crystal structure of the liganded SCP-2 like domain of humanperoxisomal multifunctional enzyme type 2 at 1.75 Å resolution", J. Mol. Biol. (2001), 313, 1127-1138. PDF


    40. 2002

  40. G. Kolstad, B. Synstad, V.G.H. Eijsink, and D.M.F. van Aalten, "Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 Å resolution", Acta Cryst. (2002), D58, 377-379. PDF
  41. J.N. Tabudravu, V.G.H. Eijsink, G.W. Gooday, M. Jaspars, D.Komander, M. Legg, B. Synstad, and D.M.F. van Aalten, "Psammaplin A, a chitinase inhibitor isolated from the Fijian marinesponge Aplysinella rhax", Bioorg. Med. Chem. (2002), 10, 1123-1128. PDF
  42. D.M.F. van Aalten, A. Haker, J. Hendriks, K.J. Hellingwerf, L. Joshua-Tor, and W. Crielaard, "Engineering photocycle dynamics - crystal structures and kinetics of three photoactive yellow protein hinge-bending mutants", J. Biol. Chem. (2002), 277, 6463-6468. PDF
  43. M. Sundaram, D.M.F. van Aalten, J.B.C. Findlay, and A. Sivaprasadarao, "The transfer of transthyretin and receptor-binding properties from the plasma retinol-binding protein to the epididymal retinoic acid-binding protein", Biochem. J. (2002), 362, 265-271. PDF
  44. D.M.F. van Aalten, W. Crielaard, K.J. Hellingwerf, and L. Joshua-Tor, "Structure of the photoactive yellow protein reconstituted with caffeic acid at 1.16 Å resolution", Acta Cryst. (2002), D58, 585-590. PDF
  45. D.R. Houston, K. Shiomi, N. Arai, S. Omura, M.G. Peter, A. Turberg, B. Synstad, V.G.H. Eijsink, and D.M.F. van Aalten, "High-resolution structures of a chitinase complexed with natural product cyclopentapeptide inhibitors: Mimicry of carbohydrate substrate", Proc. Natl. Acad. Sci. USA (2002), 99, 9127-9132. PDF + Commentary PDF
  46. F. Fusetti, H. von Moeller, D. Houston, H.J. Rozeboom, B.W. Dijkstra, R.G. Boot, J.M.F.G. Aerts, and D.M.F. van Aalten, "Structure of human chitotriosidase - implications for specific inhibitor design and function of mammalian chitinase-like lectins", J. Biol. Chem. (2002), 277, 25537-25544. PDF
  47. C.C. Thomas, M. Deak, D.R. Alessi, and D.M.F. van Aalten, "High-resolution structure of the pleckstrin homology domain of protein kinaseB/Akt bound to phosphatidylinositol (3,4,5)-trisphosphate", Curr. Biol. (2002), 12, 1256-1262. PDF
  48. R.M. Biondi, D. Komander, C.C. Thomas, J.M. Lizcano, M. Deak, D.R. Alessi, and D.M.F. van Aalten, "High resolution crystal structure of the human PDK1 catalytic domain defines the regulatory phosphopeptide docking site", EMBO J. (2002), 21, 4219-4228. PDF
  49. D.R. Houston, I. Eggleston, B. Synstad, V.G.H. Eijsink, and D.M.F. van Aalten, "The cyclic dipeptide CI-4 inhibits family 18 chitinases by structural mimicry of a reaction intermediate", Biochem. J. (2002), 368, 23-27. PDF


    50. 2003

  50. M.S. Alphey, H. Attrill, P.R. Crocker, and D.M.F. van Aalten, "High resolution crystal structures of Siglec-7 - insights into ligand specificity in the Siglec family", J. Biol. Chem. (2003), 278, 3372-3377. PDF
  51. F.V. Rao, D.R. Houston, R.G. Boot, J.M.F.G. Aerts, S. Sakuda, and D.M.F. van Aalten, "Crystal structures of allosamidin derivatives in complex with human macrophage chitinase", J. Biol. Chem. (2003), 278, 20110-20116. PDF
  52. J. Vreede, M.A. van der Horst, K.J. Hellingwerf, W. Crielaard, and D.M.F. van Aalten, "PAS domains - common structure, common flexibility?", J. Biol. Chem. (2003), 278, 18434-18439. PDF
  53. D.R. Houston, A.D. Recklies, J.C. Krupa, and D.M.F. van Aalten, "Structure and ligand-induced conformational change of the 39 kD glycoprotein from human articular chondrocytes", J. Biol. Chem. (2003), 278, 30206-30212. PDF
  54. G.J. Kleywegt, K. Henrick, E.J. Dodson, and D.M.F. van Aalten, "Pound-wise but penny-foolish: How well do micromolecules fare in macromolecular refinement?", Structure (2003), 11, 1051-1059. PDF
  55. D. Komander, G.S. Kular, J. Bain, M. Elliott, D.R. Alessi, and D.M.F. van Aalten, "Structural basis for UCN-01 (7-hydroxystaurosporine) specificity and PDK1 (3-phosphoinositide-dependent protein kinase-1) inhibition", Biochem. J. (2003), 375, 255-262. PDF
  56. C.C. Milburn, M. Deak, S.M. Kelly, N.C. Price, D.R. Alessi, and D.M.F. van Aalten, "Binding of phosphatidylinositol 3,4,5-trisphosphate to the Pleckstrin Homology domain of protein kinase B induces a conformational change", Biochem. J. (2003), 375, 531-538. PDF


    57. 2004

  57. G. Vaaje-Kolstad, D.R. Houston, F.V. Rao, M.G. Peter, B. Synstad, D.M.F. van Aalten, and V.G.H. Eijsink, "Structure of the D142N mutant of the family 18 chitinase ChiB from Serratia marcescens and its complex with allosamidin", Biochim. Biophys. Acta (2004), 1696, 103-111. PDF
  58. C.C. Milburn, J. Boudeau, M. Deak, D.R. Alessi, and D.M.F. van Aalten, "Crystal structure of MO25α in complex with the C terminus of the pseudo kinase STE20-related adaptor", Nature Struct. Mol. Biol. (2004),11, 192-200. PDF
  59. D. Komander, G.S. Kular, A.W. Schüttelkopf, M. Deak, K.R.C. Prakash, J. Bain, M. Elliott, M. Garrido-Franco, A.P. Kozikowski, D.R. Alessi, and D.M.F. van Aalten, "Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1", Structure (2004), 12, 215-226. PDF
  60. G. Vaaje-Kolstad, A. Vasella, M.G. Peter, C. Netter, D.R. Houston, B. Westereng, B. Synstad, V.G.H. Eijsink, and D.M.F. van Aalten, "Interactions of a family 18 chitinase with the designed inhibitor HM508 and its degradation product, chitobiono-δ-lactone", J. Biol. Chem. (2004), 279, 3612-3619. PDF
  61. B. Synstad, S. Gåseidnes, D.M.F. van Aalten, G. Vriend, J.E. Nielsen, and V.G.H. Eijsink, "Mutational and computational analysis of the role of conserved residues in the active site of a family 18 chitinase", Eur.J.Biochem. (2004), 271, 253-262. PDF
  62. D. Komander, M. Deak, N. Morrice, and D.M.F. van Aalten, "Purification, crystallisation and preliminary X-ray diffraction of aproteolytic fragment of PDK1 containing the pleckstrin homology domain", Acta Cryst. (2004), D60, 314-316. PDF
  63. A. Mora, D. Komander, D.M.F. van Aalten, and D.R. Alessi, "PDK1, the master regulator of AGC kinase signal transduction", Semin. Cell Dev. Biol. (2004), 15, 161-170. PDF
  64. N. Dimasi, H. Attrill, D.M.F. van Aalten, A. Moretta, L. Moretta, R. Biassoni, and R. Mariuzza, "Structure of the saccharide-binding domain of the human natural killer cell inhibitory receptor p75/AIRM1", Acta Cryst. (2004), D60, 620. PDF
  65. A.W. Schuettelkopf and D.M.F. van Aalten, "PRODRG: a tool for high-throughput crystallography of protein-ligandcomplexes", Acta Cryst. (2004), D60, 1355-1363. PDF
  66. D.E. Blair and D.M.F. van Aalten, "Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine", FEBS Lett. (2004), 570, 13-19. PDF
  67. D. Komander, A. Fairservice, M. Deak, G.S. Kular, A.R. Prescott, C.P. Downes, S.T. Safrany, D.R. Alessi, and D.M.F. van Aalten, "Structural insights into the regulation of PDK1 by phosphoinositides and inositol phosphates", EMBO J. (2004), 23, 3918-3928. PDF
  68. D.R. Houston, B. Synstad, V.G.H. Eijsink, M.J.R. Stark, I.M. Eggleston, and D.M.F. van Aalten, "Structure-based exploration of cyclic dipeptide chitinase inhibitors", J. Med. Chem. (2004), 47, 5713-5720. PDF
  69. J. Boudeau, J.W. Scott, N. Resta, M. Deak, A. Kieloch, D. Komander, D.G. Hardie, A.R. Prescott, D.M.F. van Aalten, and D.R. Alessi, "Analysis of the LKB1:STRAD:MO25 complex", J. Cell. Sci. (2004), 117, 6365-6375. PDF


    70. 2005

  70. F.V. Rao, D.R. Houston, R.G. Boot, J.M.F.G. Aerts, M. Hodkinson, D.J. Adams, K. Shiomi, S. Omura, and D.M.F. van Aalten, "Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinases", Chem. Biol. (2005), 12, 65-76. PDF + Commentary PDF
  71. F. Villa, M. Deak, G.B. Bloomberg, D.R. Alessi, and D. M.F. van Aalten, "Crystal structure of the PTPL1/FAP-1 human tyrosine phosphatase mutated in colorectal cancer: evidence for a second phosphotyrosine substrate recognition pocket", J. Biol. Chem. (2005), 280, 8180-8187. PDF
  72. G. Vaaje-Kolstad, D.R. Houston, A.H.K. Riemen, V.G.H. Eijsink, and D.M.F. van Aalten, "Crystal structure and binding properties of the Serratia marcescens chitin-binding protein CBP21", J. Biol. Chem. (2005), 280, 11313-11319. PDF
  73. D. Komander, G. Kular, M. Deak, D.R. Alessi, and D.M.F. van Aalten, "Role of T-loop phosphorylation in PDK1 activation, stability and substrate binding", J. Biol. Chem. (2005), 280, 18797-11802. PDF
  74. M.D. Urbaniak, A. Crossman, T. Chang, T.K. Smith, D.M.F. van Aalten, and M.A.J. Ferguson, "The N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase of glycosylphosphatidylinositol biosynthesis is a zinc metalloenzyme",J. Biol. Chem. (2005), 280, 22831-22838. PDF
  75. G. Vaaje-Kolstad, S.J. Horn, D.M.F. van Aalten, B. Synstad, and V.G.H. Eijsink, "The non-catalytic chitin-binding protein CBP21 from Serratiamarcescens is essential for chitin degradation", J. Biol. Chem. (2005), 280, 28492-28497. PDF + Commentary PDF
  76. F.V. Rao, O.A. Andersen, K.A. Vora, J.A. DeMartino, and D.M.F. van Aalten, "Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes", Chem. Biol. (2005), 12, 973-980. PDF
  77. M.J. Dixon, O.A. Andersen, D.M.F. van Aalten, and I.M. Eggleston, "An efficient synthesis of argifin: A natural product chitinase inhibitor with chemotherapeutic potential", Bioorg. Med. Chem. Lett. (2005), 15, 4717-4721. PDF
  78. O.A. Andersen, M.J. Dixon, I.M. Eggleston, and D.M.F. van Aalten, "Natural product family 18 chitinase inhibitors", Nat. Prod. Rep. (2005), 22, 563-579. PDF
  79. D.E. Blair, A.W. Schuettelkopf, J.I. MacRae, and D.M.F. van Aalten, "Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor", Proc. Natl. Acad. Sci. USA (2005), 102, 15429-15434. PDF

    80. 2006

  80. S.R. Wickramasinghe, K.A. Inglis, J.E. Urch, S. Mueller, D.M.F. van Aalten, and A.H. Fairlamb, "Kinetic, inhibition and structural studies on 3-oxoacyl-ACP reductase from Plasmodium falciparum, a key enzyme in fatty acid biosynthesis", Biochem. J. (2006), 393, 447-457. PDF
  81. M. Jaleel, F. Villa, M. Deak, R. Toth, A.R. Prescott, D.M.F. van Aalten, and Dario R. Alessi, "The ubiquitin-associated domain of AMPK-related kinases regulates conformation and LKB1-mediated phosphorylation and activation", Biochem. J. (2006), 394, 545-555. PDF + Commentary PDF
  82. F.V. Rao, H.C. Dorfmueller, F. Villa, M. Allwood, I.M. Eggleston, and D.M.F. van Aalten, "Structural insights into mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis", EMBO J. (2006), 25, 1569-1578. PDF + Commentary PDF
  83. H. Attrill, H. Takazawa, S. Witt, S. Kelm, R. Isecke, R. Brossmer, T. Ando, H. Ishida, M. Kiso, P.R. Crocker, and D.M.F. van Aalten, "The structure of Siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design", Biochem. J. (2006), 397, 271-278. PDF
  84. A.W. Schuettelkopf, G. Hamilton, C. Watts, and D.M.F. van Aalten, "Structural basis of reduction-dependent activation of human Cystatin F", J. Biol. Chem. (2006), 281, 16570-16575. PDF
  85. D.E. Blair, O. Hekmat, A.W. Schuettelkopf, B. Shrestha, K. Tokuyasu, S.G.Withers, and D.M.F. van Aalten, "Structure and mechanism of chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum", Biochemistry (2006), 45, 9416-9426. PDF
  86. A.W. Schuettelkopf, O.A. Andersen, F.V. Rao, M. Allwood, C. Lloyd, I.M.Eggleston, and D.M.F. van Aalten, "Screening-based discovery and structural dissection of a novel family 18 chitinase inhibitor", J. Biol. Chem. (2006), 281, 27278-27285. PDF
  87. S.H. Conner, G. Kular, M. Peggie, S. Shepherd, A.W. Schuettelkopf, P. Cohen, and D.M.F. van Aalten, "TAK1-binding protein 1 is a pseudophosphatase", Biochem. J. (2006), 399, 427-434. PDF
  88. M.J. Dixon, O.A. Andersen, D.M.F. van Aalten, and Ian M. Eggleston, "First synthesis of argadin: a nanomolar inhibitor of family-18 chitinases", Eur. J. Org. Chem. (2006), 22, 5002-5006. PDF
  89. H. Attrill, A. Imamura, R.S. Sharma, M. Kiso, P.R. Crocker, and D.M.F. van Aalten, "Siglec-7 undergoes a major conformational change when complexed with the α2,8-disialylganglioside GT1b", J. Biol. Chem. (2006), 281, 32774-32783. PDF
  90. H.C. Dorfmueller, V.S. Borodkin, M. Schimpl, S.M. Shepherd, N.A. Shpiro, and D.M.F. van Aalten, "GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-GlcNAcylation levels", J. Am. Chem. Soc. (2006), 128, 16484-16485. PDF + Commentary PDF


    91. 2007

  91. J. Taskinen, D.M.F. van Aalten, J. Knudsen, and R.K. Wierenga, "High resolution crystal structures of unliganded and liganded human liver ACBP reveal a new mode of binding for the acyl-CoA ligand", Proteins (2007), 66, 220-238. PDF
  92. S.J. Mills, D. Komander, M.N. Trusselle, S.T. Safrany, D.M.F. van Aalten, and B.L.V. Potter, "Novel inositol phospholipid headgroup surrogate crystallized in the pleckstrin homology domain of protein kinase Bα", ACS Chem. Biol. (2007), 2, 242-246. PDF
  93. R. Hurtado-Guerrero and D.M.F. van Aalten, "Structure of Saccharomyces cerevisiae chitinase 1 and screening-based discovery of potent inhibitors", Chem. Biol. (2007), 14, 589-599. PDF
  94. F. Villa, J. Goebel, F.H. Rafiqi, M. Deak, J. Thastrup, D.R. Alessi, and D.M.F. van Aalten, "Structural insights into the recognition of substrates and activators by the OSR1 kinase", EMBO Rep. (2007), 8, 839-845. PDF
  95. M.B. Allwood, B. Cannan, D.M.F. van Aalten, and I.E. Eggleston, "Efficient synthesis of 1,3,7-substituted xanthines by a safety-catch protection strategy", Tetrahedron (2007), 50, 12294-12302. PDF
  96. R. Hurtado-Guerrero, O. Raimi, S. Shepherd, and D.M.F. van Aalten, "Glucose-6-phosphate as a probe for the glucosamine-6-phosphate N-acetyltransferase Michaelis complex", FEBS Lett. (2007), 581, 5597-5600. PDF

    97. 2008

  97. O.A. Andersen, A. Nathubhai, M.J. Dixon, I.M. Eggleston, and D.M.F. van Aalten, "Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin", Chem. Biol. (2008), 15, 295-301. PDF + Commentary PDF
  98. J.R. Bayascas, S. Wullschleger, K. Sakamoto, J.M. Garcia-Martinez, C. Clacher, D. Komander, D.M.F. van Aalten, K.M. Boini, F. Lang, C. Lipina, L. Logie, C. Sutherland, J.A. Chudek, J. van Diepen, P.J. Voshol, J.M. Lucocq, and D.R. Alessi, "Mutation of PDK1 PH domain inhibits PKB/Akt leading to small size and insulin-resistance", Mol. Cell. Biol. (2008), 28, 3258-3272. PDF
  99. S. Pathak, H.C. Dorfmueller, V.S. Borodkin, and D.M.F. van Aalten, "Chemical dissection of the link between streptozotocin, O-GlcNAc and pancreatic cell death", Chem. Biol. (2008), 15, 799-807. PDF
  100. R. Hurtado-Guerrero, O.G. Raimi, J. Min, H. Zeng, L. Vallius, S.M. Shepherd, A.F.M. Ibrahim, H. Wu, A.N. Plotnikov, and D.M.F. van Aalten, "Structural and kinetic differences between human and Aspergillus fumigatus D-glucosamine-6-phosphate N-acetyltransferase", Biochem. J. (2008), 415, 217-223. PDF
  101. D. Lamb, A.W. Schuettelkopf, D.M.F. van Aalten, and D.W. Brighty, "Highly specific inhibition of leukaemia virus membrane fusion by interaction of peptide antagonists with a conserved region of the coiled coil ofenvelope", Retrovirology (2008), 5, 70. PDF
  102. F. Villa, M. Deak, D.R. Alessi, and D.M.F. van Aalten, "Structure of the OSR1 kinase, a hypertension drug target", Proteins (2008), 73, 1082-1087. PDF
  103. A. Clarke, R. Hurtado-Guerrero, S. Pathak, A.W. Schuettelkopf, V. Borodkin, S.M. Shepherd, A.F.M. Ibrahim, and D.M.F. van Aalten, "Structural insights into mechanism and specificity of O-GlcNAc transferase", EMBO J. (2008), 27, 2780-2788. PDF + Commentary PDF
  104. R. Hurtado-Guerrero, H.C. Dorfmueller, and D.M.F. van Aalten, "Molecular mechanisms of O-GlcNAcylation", Curr. Opin. Struct. Biol. (2008), 18, 551-557. PDF
  105. D.M.F. van Aalten and N.C.J. Strynadka,"Putting glycobiology on a structural footing", Curr. Opin. Struct. Biol. (2008), 18, 525-526. PDF


    106. 2009

  106. M.J. Dixon, A. Nathubhai, O.A. Andersen, D.M.F. van Aalten, and I.M. Eggleston, "Solid-phase synthesis of cyclic peptide chitinase inhibitors: SAR of the argifin scaffold", Org. Biomol. Chem. (2009), 7, 259-268. PDF Pubmed
  107. D.M. Deng, J.E. Urch, J.M. ten Cate, V.A. Rao, D.M.F. van Aalten, and W. Crielaard, "Streptococcus mutans SMU.623c codes for a functional, metal-dependent polysaccharide deacetylase that modulates interactions with salivary agglutinin", J. Bact. (2009), 191, 392-402. PDF Pubmed
  108. R. Hurtado-Guerrero, A.W. Schuettelkopf, I. Mouyna, A.F.M. Ibrahim, S. Shepherd, T. Fontaine, J.P. Latge, and D.M.F. van Aalten, "Molecular mechanisms of yeast cell wall glucan remodeling", J.Biol.Chem. (2009), 284, 8461-8469. PDF  Pubmed
  109. H.C. Dorfmueller, V.S. Borodkin, M Schimpl, and D.M.F. van Aalten, "GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation", Biochem.J. (2009), 420, 221-227. PDF  Pubmed
  110. J.E. Urch, R. Hurtado-Guerrero, D. Brosson, Z. Liu, V.G.H. Eijsink, C. Texier, and D.M.F. van Aalten, "Structural and functional characterization of a putative polysaccharide deacetylase of the human parasite Encephalitozoon cuniculi", Prot. Sci. (2009), 18, 1197-1209. PDF  Pubmed
  111. E. Zeqiraj, B.M. Filippi, S. Goldie, I. Navratilova, J. Boudeau, M. Deak, D.R. Alessi, and D.M.F. van Aalten, "ATP and MO25α regulate the conformational state of the STRADα pseudokinase and activation of the LKB1 tumour suppressor", PLoS Biol. (2009), 7, e1000126. PDF  Pubmed
  112. E. Zeqiraj, B.M. Filippi, M. Deak, D.R. Alessi and D.M.F. van Aalten, "Structure of the LKB1-STRAD-MO25 complex reveals an allosteric mechanism of kinase activation", Science (2009), 326, 1707-1711. PDF  Pubmed


    113. 2010

  113. H.C. Dorfmueller and D.M.F. van Aalten, "Screening-based discovery of drug-like O-GlcNAcase inhibitor scaffolds", FEBS Lett. (2010), 584, 694-700. PDF  Pubmed
  114. R. Hurtado-Guerrero, T. Zusman, S. Pathak, A.F.M. Ibrahim, S. Shepherd, A. Prescott, G. Segal and D.M.F. van Aalten, "Molecular mechanism of elongation factor 1A inhibition by a Legionella pneumophila glycosyltransferase", Biochem.J. (2010), 426, 281-292. PDF  Pubmed
  115. J.A. Frearson, S. Brand, S.P. McElroy, L.A.T. Cleghorn, O. Smid, L. Stojanovski, H.P. Price, M.L.S. Guther, L.S. Torrie, D.A. Robinson, I. Hallyburton, C.P. Mpamhanga, J.A. Brannigan, A.J. Wilkinson, M. Hodgkinson, R. Hui, W. Qiu, O.G. Raimi, D.M.F. van Aalten, R. Brenk, I.H. Gilbert, K.D. Read, A.H. Fairlamb, M.A.J. Ferguson, D.F. Smith and P.G. Wyatt, "N-myristoyltransferase inhibitors as new leads to treat sleeping sickness", Nature (2010), 464, 728-732. PDF +  Commentary PDF  Pubmed
  116. V.S. Borodkin and D,M.F. van Aalten, "An efficient and versatile synthesis of GlcNAcstatins - potent and selective O-GlcNAcase inhibitors built on the tetrahydroimidazo[1,2-a]pyridine scaffold", Tetrahedron (2010), 66, 7838-7849. PDF  Pubmed
  117. C.L. Rush, A.W. Schuettelkopf, R. Hurtado-Guerrero, D.E. Blair, A.F.M. Ibrahim, S. Desvergnes, I.M. Eggleston and D.M.F. van Aalten, "Natural product-guided discovery of a fungal chitinase inhibitor", Chem.Biol. (2010), 17, 1275-1281. PDF  Pubmed
  118. H.C. Dorfmueller, V.S. Borodkin, M. Schimpl, X. Zheng, R. Kime, K. D. Read and D.M.F. van Aalten, "Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases", Chem.Biol. (2010), 17, 1250-1255. PDF  Pubmed
  119. A.W. Schuettelkopf, L. Gros, D.E Blair, J.A. Frearson, D.M.F. van Aalten and I. Gilbert, "Acetazolamide-based fungal chitinase inhibitors", Bioorg.Med.Chem. (2010), 18, 8334-8340. PDF  Pubmed
  120. M. Schimpl, A.W. Schuettelkopf, V.S. Borodkin and D.M.F. van Aalten, "Human O-GlcNAcase binds substrates in a conserved peptide recognition groove", Biochem.J. (2010), 432, 1-7. PDF  Pubmed
  121. E. Zeqiraj and D.M.F. van Aalten, "Pseudokinases - remnants of evolution or key allosteric regulators?", Curr.Opin.Struct.Biol. (2010), 20, 772-781. PDF  Pubmed


    122. 2011

  122. D. Lamb, A.W. Schuettelkopf, D.M.F. van Aalten and D.W. Brighty, "Charge-surrounded pockets and electrostatic interactions with small ions modulate the activity of retroviral fusion proteins", PLOS Pathog. (2011), 7, e1001268. PDF  Pubmed
  123. H.C. Dorfmueller, V.S. Borodkin, D.E. Blair, S. Pathak, I. Navratilova and D.M.F. van Aalten, "Substrate and product analogues as human O-GlcNAc transferase inhibitors", Amino Acids (2011), 40, 781-792. PDF  Pubmed
  124. L.M. Gay, X. Zheng and D.M.F. van Aalten, "O-GlcNAc transfer : size matters", Nature Chem.Biol. (2011), 7, 134-135. PDF  Pubmed
  125. A.W. Schuettelkopf, O.A. Andersen, F.V. Rao, M. Allwood, C.L. Rush, I.M. Eggleston and D.M.F. van Aalten, "Bisdionin C – a rationally designed, submicromolar inhibitor of family 18 chitinases", ACS Med.Chem.Lett. (2011), 2, 428-432. PDF
  126. T.E. Sutherland, O.A. Andersen, M. Betou, I.M. Eggleston, R.M. Maizels, D.M.F. van Aalten* and J.E. Allen*, "Analysing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor", Chem.Biol. (2011), 18, 569-579. (* co-corresponding authors). PDF  Pubmed
  127. D. Mariappa, K. Sauert, K. Mariño, D. Turnock, R. Webster, D.M.F. van Aalten, M.A.J. Ferguson and H.A.J. Mueller, "Protein O-GlcNAcylation is required for Fibroblast Growth Factor signaling in Drosophila", Sci.Signal. (2011), 4, ra89. PDF + Commentary PDF  Pubmed
  128. H.I. Woodroof, J.H. Pogson, M. Begley, L.C. Cantley, M. Deak, D.G. Campbell, D.M.F. van Aalten, A.J. Whitworth, D.R. Alessi and M.M.K. Muqit, "Discovery of catalytically active orthologues of the Parkinson’s disease kinase PINK1: analysis of substrate specificity and impact of mutations", Open Biol. (2011), 1, 110012. PDF Pubmed


    129. 2012

  129. E. Wong, G. Vaaje-Kolstad, A. Ghosh, R. Hurtado-Guerrero, P.V. Konarev, A.F.M. Ibrahim, D.I. Svergun, V.G.H. Eijsink, N.S. Chatterjee and D.M.F. van Aalten, “The Vibrio cholerae colonization factor GbpA possesses a modular structure that governs binding to different host surfaces”, PLOS Pathog. (2012), 8, e1002373. PDF  Pubmed
  130. M. Schimpl, V.S. Borodkin, L.J. Gray and D.M.F. van Aalten, "Synergy of peptide and sugar in O-GlcNAcase substrate recognition", Chem.Biol. (2012), 19, 173-176. PDF  Pubmed
  131. S. Pathak, V.S. Borodkin, O. Albarbarawi, D.G. Campbell, A. Ibrahim and D.M.F. van Aalten, "O-GlcNAcylation of TAB1 modulates TAK1-mediated cytokine release", EMBO J. (2012), 31, 1394-1404. PDF  Pubmed
  132. M.J. Dixon, A. Gray, M. Schenning, M. Agacan, W. Tempel, Y. Tong, L. Nedyalkova, H.-W. Park, N.R. Leslie, D.M.F. van Aalten, C.P. Downes and I.H. Batty, "IQGAP proteins reveal an atypical phosphoinositide (aPI) binding domain with a pseudo C2 domain fold", J.Biol.Chem. (2012), 287, 22483-22496. PDF  Pubmed
  133. G.A. Penman, D.E.A. Lockhart, A. Ferenbach and D.M.F. van Aalten, "Purification, crystallization and preliminary X-ray diffraction data of UDP-galactopyranose mutase from Aspergillus fumigatus", Acta Cryst. F (2012), F68, 705-708. PDF  Pubmed
  134. H.C. Dorfmueller, W. Fang, F.V. Rao, D.E. Blair, H. Attrill and D.M.F van Aalten, "Structural and biochemical characterization of a trapped coenzyme A adduct of Caenorhabditis elegans glucosamine-6-phosphate N-acetyltransferase", Acta Cryst. D (2012), D68, 1019-1029. PDF  Pubmed
  135. M. Schimpl, C.L. Rush, M. Betou, I.M. Eggleston, A.D. Recklies and D.M.F van Aalten, "Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide-binding properties", Biochem.J. (2012), 446, 149-157. PDF  Pubmed
  136. M. Schimpl, X. Zheng, V.S. Borodkin, D.E. Blair, A.T. Ferenbach, A.W. Schuettelkopf, I. Navratilova, T. Aristotelous, O. Albarbarawi, D.A. Robinson, M.A. MacNaughtan and D.M.F. van Aalten, "O-GlcNAc transferase invokes nucleotide sugar pyrophosphate participation in catalysis", Nature Chem.Biol. (2012), 8, 969-974. PDF + Commentary PDF  Pubmed

    137. 2013

  137. H. Hahne, N. Sobotzki, T. Nyberg, D. Helm, V.S. Borodkin, D.M.F. van Aalten, B. Agnew and B. Kuster, "Proteome wide purification and identification of O-GlcNAc-modified proteins using click chemistry and mass spectrometry", J.Proteome Res. (2013), 12, 927-936. PDF  Pubmed 23301498
  138. D. Mariappa, S. Pathak and D.M.F. van Aalten, "A sweet TET-à-tête - synergy of TET proteins and O-GlcNAc transferase in transcription", EMBO J. (2013), 32, 612-613. PDF  Pubmed 23403924
  139. W. Fang, T. Du, O.G. Raimi, R. Hurtado-Guerrero, M.D. Urbaniak, A.F.M. Ibrahim, M.A.J. Ferguson, C. Jin and D.M.F. van Aalten, "Genetic and structural validation of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase as an antifungal target", Mol.Microbiol. (2013), 89, 479-493. PDF  Pubmed 23750903
  140. L. Hobley, A. Ostrowski, F.V. Rao, K.M. Bromley, M. Porter, A.R. Prescott, C. MacPhee, D.M.F. van Aalten and N.R. Stanley-Wall, "BslA is a self-assembling bacterial hydrophobin that coats the Bacillus subtilis biofilm", Proc.Natl.Acad.Sci.USA (2013), 110, 13600-13605. PDF +  Commentary PDF  Pubmed 23904481
  141. W. Fang, T. Du, O.G. Raimi, R. Hurtado-Guerrero, K. Mariño, A.F.M. Ibrahim, O. Albarbarawi, M.A.J. Ferguson, C. Jin and D.M.F. van Aalten, "Genetic and structural validation of Aspergillus fumigatus N-acetylphosphoglucosamine mutase as an antifungal target", Biosci.Rep. (2013), 33, 689-699. PDF  Pubmed 23844980
  142. M.D. Urbaniak, I.T. Collie, W. Fang, T. Aristotelous, S. Eskilsson, O.G. Raimi, J. Harrison, I. Hopkins Navratilova, J.A. Frearson, D.M.F. van Aalten and M.A.J. Ferguson, "A novel allosteric inhibitor of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei", ACS Chem.Biol. (2013), 8, 1981-1987. PDF  Pubmed 23834437
  143. A. Striebeck, D.A. Robinson, A.W. Schuettelkopf and D.M.F. van Aalten, "Yeast Mnn9 is both a priming glycosyltransferase and an allosteric activator of mannan biosynthesis", Open Biol. (2013), 3, 130022. PDF  Pubmed 24026536
  144. F.V. Rao, A.W. Schuettelkopf, H.C. Dorfmueller, A.T. Ferenbach, I. Navratilova and D.M.F. van Aalten, "Structure of a bacterial putative acetyltransferase defines the fold of the human O-GlcNAcase C-terminal domain", Open Biol. (2013), 3, 130021. PDF + Journal cover PDF Pubmed 24088714
  145. A. Ostrowski and D.M.F. van Aalten, "Chemical tools to probe cellular O-GlcNAc signalling", Biochem.J. (2013), 456, 1-12. PDF Pubmed 24156473

    146. 2014

  146. V.S. Borodkin, M. Schimpl, M. Gundogdu, K. Rafie, H.C. Dorfmueller, D.A. Robinson and D.M.F. van Aalten, "Bisubstrate UDP-peptide conjugates as human O-GlcNAc transferase inhibitors", Biochem.J. (2014), 457, 497-502. PDF Pubmed 24256146
  147. D.E.A. Lockhart, A.W. Schuettelkopf, D.E. Blair and D.M.F. van Aalten, "Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors", FEBS Lett. (2014), 588, 3282-3290. PDF Pubmed 25063338
  148. H.C. Dorfmueller, A.T. Ferenbach, V.S. Borodkin and D.M.F. van Aalten, "A structural and biochemical model of processive chitin synthesis", J.Biol.Chem. (2014), 289, 23020-23028. PDF Pubmed 24942743
  149. C.M. Speakman, T.C.E. Domke, W. Wongpaiboonwattana, K.L. Sanders, M. Mudaliar, D.M.F. van Aalten, G.J. Barton, and M.P. Stavridis, "Elevated O-GlcNAc levels activate epigenetically repressed genes and delay mouse ESC differentiation without affecting naive to primed cell transition", Stem Cells (2014), 32, 2605-2615. PDF Pubmed 24898611
  150. J. Alonso, M. Schimpl and D.M.F. van Aalten, "O-GlcNAcase : promiscuous hexosaminidase or key regulator of O-GlcNAc signalling?", J.Biol.Chem. (2014), 289, 34433-34439. PDF Pubmed 25336650
  151. S. Brand, N.R. Norcross, S. Thompson, J.R. Harrison, V.C. Smith, D.A. Robinson, L.S. Torrie, S.P. McElroy, I. Hallyburton, S. Norval, P. Scullion, L. Stojanovski, F.R.C. Simeons, D. van Aalten, J.A. Frearson, R. Brenk, A.H. Fairlamb, M.A.J. Ferguson, P.G. Wyatt, I.H. Gilbert and K.D. Read, "Lead Optimization of a Pyrazole Sulfonamide Series of Trypanosoma brucei N‐Myristoyltransferase Inhibitors: Identification and Evaluation of CNS Penetrant Compounds as Potential Treatments for Stage 2 Human African Trypanosomiasis", J.Med.Chem. (2014), 57, 9855−9869. PDF Pubmed 25412409

    152. 2015

  152. N. Zhang, S.L. Gordon, M.J. Fritsch, N. Esoof, D.G. Campbell, R. Gourlay, S. Velupillai, T. Macartney, M. Peggie, D.M.F. van Aalten, M.A. Cousin and D.R. Alessi, "Phosphorylation of synaptic vesicle protein 2A at Thr84 by casein kinase 1 family kinases controls the specific retrieval of Synaptotagmin-1", J.Neurosci. (2015), 35, 2492–2507. PDF Pubmed 25673844
  153. N. Selvan, D. Mariappa, H.W.P. van den Toorn, A.J.R. Heck, A.T. Ferenbach and D.M.F. van Aalten, "The early metazoan Trichoplax adhaerens possesses a functional O-GlcNAc system", J.Biol.Chem. (2015), 290, 11969-11982. PDF Pubmed 25778404
  154. W. Fang, D.A. Robinson, O.G. Raimi, D.E. Blair, J.R. Harrison, D.E.A. Lockhart, L.S. Torrie, G.F. Ruda, P.G. Wyatt, I.H. Gilbert and D.M.F. van Aalten, "N-myristoyltransferase is a cell wall target in Aspergillus fumigatus", ACS Chem.Biol. (2015), 10, 1425−1434. PDF Pubmed 25706802
  155. T. Jank, S. Eckerle, M. Steinemann, C. Trillhaase, M. Schimp, S. Wiese, D.M.F. van Aalten, W. Driever and K. Aktories, "Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos", Nature Comms. (2015), 6, 7807. PDF Pubmed 26190758
  156. A. Kazlauskaite, R.J. Martínez-Torres, S. Wilkie, A. Kumar, J. Peltier, A. Gonzalez, C. Johnson, J. Zhang, A.G. Hope, M. Peggie, M. Trost, D.M.F. van Aalten, D.R. Alessi, A.R. Prescott, A. Knebel, H. Walden and M.M.K. Muqit, "Binding to serine 65-phosphorylated ubiquitin primes Parkin for optimal PINK1-dependent phosphorylation and activation", EMBO Rep. (2015), 16, 939-954. PDF Pubmed 26116755
  157. S. Pathak, J. Alonso, M. Schimpl, K. Rafie, D.E. Blair, V.S. Borodkin, A.W. Schuettelkopf, O. Albarbarawi and D.M.F. van Aalten, "The active site of O-GlcNAc transferase imposes constraints on substrate sequence", Nat.Struct.Mol.Biol. (2015), 22, 744-750. PDF Pubmed 26237509
  158. D. Mariyappa, N. Selvan, V.S. Borodkin, J. Alonso, A.T. Ferenbach, C. Shepherd, I. Hopkins-Navratilova and D.M.F. van Aalten, "A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development", Biochem.J. (2015), 470, 255-262. PDF + Commentary PDF Pubmed 26348912
  159. S.L. van der Beek, Y. Le Breton, A.T. Ferenbach, R.N. Chapman, D.M.F. van Aalten, I. Navratilova, G.J. Boons, K.S. McIver, N.M. van Sorge and H.C. Dorfmueller, "GacA is essential for Group A Streptococcus and defines a new class of monomeric dTDP-4-dehydrorhamnose reductases (RmlD)", Mol.Micro. (2015), 98, 946–962. PDF Pubmed 26278404
  160. A. Ostrowski, M. Gundogdu, A.T. Ferenbach, A.A. Lebedev and D.M.F. van Aalten, "Evidence for a functional O-GlcNAc system in the thermophilic bacterium Thermobaculum terrenum", J.Biol.Chem. (2015), 51, 30291–30305. PDF Pubmed 26491011
  161. D. Mariappa, X. Zheng, M. Schimpl, O. Raimi, A.T. Ferenbach, H.A.J. Mueller and D.M.F. van Aalten, "Dual functionality of O-GlcNAc transferase is required for Drosophila development", Open Biol. (2015), 5, 150234. PDF Pubmed 26674417

    162. 2016

  162. R. Trapannone, K. Rafie and D.M.F. van Aalten, "O-GlcNAc transferase inhibitors: current tools and future challenges", Biochem.Soc.Trans. (2016), 44, 88-93. PDF Pubmed 26862193
  163. L. Raich, V.S. Borodkin, W. Fang, J. Castro, D.M.F. van Aalten, R. Hurtado-Guerrero and C. Rovira, "A trapped covalent intermediate of a glycoside hydrolase on the pathway to transglycosylation. Insights from experiments and QM/MM simulations", J.Am.Chem.Soc. (2016), 38, 3325−3332. PDF Pubmed 26859322
  164. V. Kapuria, U.F. Roehrig, T. Bhuiyan, V.S. Borodkin, D.M.F. van Aalten, V. Zoete and W. Herr, "Proteolysis of HCF-1 by Ser/Thr glycosylation-incompetent O-GlcNAc transferase:UDP-GlcNAc complexes", Genes Dev. (2016), 30, 960-972. PDF Pubmed 27056667
  165. M. Swamy, S. Pathak, K.M. Grzes, S. Damerow, L.V. Sinclair, D.M.F. van Aalten and D.A. Cantrell, "Glucose and glutamine fuel protein O-GlcNAcylation to control T cell self-renewal and malignancy", Nature Immunology (2016), 17, 712-20. PDF Pubmed 27111141
  166. R. Trapannone, D. Mariappa, A.T. Ferenbach and D.M.F. van Aalten, "Nucleocytoplasmic human O-GlcNAc transferase is sufficient for O-GlcNAcylation of mitochondrial proteins", Biochem.J. (2016), 473 (12) 1693-1702. PDF Pubmed 27048592

    167. 2017

  167. Z. Liu, L.M. Gay, T.R. Tuveng, J.W. Agger, B. Westereng, G. Mathiesen, S.J. Horn, G. Vaaje-Kolstad, D.M.F. van Aalten and V.G.H. Eijsink, "Structure and function of a broad- specificity chitin deacetylase from Aspergillus nidulans FGSC A4", Sci.Rep. (2017), 7: 1746. PDF Pubmed 28496100
  168. N. Selvan, R. Williamson, D. Mariappa, D.G. Campbell, R. Gourlay, A.T. Ferenbach, T. Aristotelous, I. Hopkins-Navratilova, M. Trost and D.M.F. van Aalten, "A mutant O-GlcNAcase enriches Drosophila developmental regulators", Nature Chem.Biol. (2017), 13, 882-887. PDF Pubmed 28604694
  169. K. Rafie, O. Raimi, A.T. Ferenbach, V.S. Borodkin, V. Kapuria and D.M.F. van Aalten, "Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats", Open Biol. (2017), 7(6), 170078. PDF Pubmed 28659383
  170. A.P. Willems, M. Gundogdu, M.J.E. Kempers, J.C. Giltay, R. Pfundt, M. Elferink, B.F. Loza, J. Fuijkschot, A.T. Ferenbach, K.L.I. van Gassen, D.M.F. van Aalten* and D.J. Lefeber* (* joint corresponding authors), "Mutations in N-acetylglucosamine (O-GlcNAc) transferase in patients with X-linked intellectual disability", J.Biol.Chem. (2017), 292, 12621–12631. PDF Pubmed 28584052
  171. A.L. Leney, K. Rafie, D.M.F. van Aalten and A. Heck, "Direct monitoring of protein O-GlcNAcylation by high-resolution native mass spectrometry", ACS Chem.Biol. (2017), 12, 2078−2084. PDF Pubmed 28609614
  172. A. Kumar, J. Tamjar, A.D. Waddell, H.I. Woodroof, O.G. Raimi, A.M. Shaw, M. Peggie, M.M.K. Muqit* and D.M.F. van Aalten* (* joint corresponding authors), "Structure of PINK1 and mechanisms of Parkinson's disease associated mutations", eLife (2017), 6:e29985. PDF Pubmed 28980524

    173. 2018

  173. I. Delso, J. Valero-Gonzalez, F. Gomollón-Bel, J. Castro-López, W. Fang, I. Navratilova, D.M.F. van Aalten, T. Tejero, P. Merino and R. Hurtado-Guerrero, "Inhibitors against fungal cell wall remodeling enzymes", ChemMedChem (2018), 13, 128 – 132. PDF Pubmed 29164827
  174. M. Gundogdu, S. Llabrés, A. Gorelik, A.T. Ferenbach, U. Zachariae and D.M.F. van Aalten, "The O-GlcNAc transferase intellectual disability mutation L254F distorts the TPR helix", Cell Chem.Biol. (2018), 25, 513-518. PDF Pubmed 29606577
  175. M. Ghirardello, D. Perrone, N. Chinaglia, D. Sádaba, I. Delso, T. Tejero, E. Marchesi, M. Fogagnolo, K. Rafie, D.M.F. van Aalten and P. Merino, "UDP-GlcNAc analogs as inhibitors of O-GlcNAc transferase (OGT): spectroscopic, computational and biological studies", Chemistry (2018), 24, 7264-7272. PDF Pubmed 29513364
  176. K.C. Pao, N.T. Wood, A. Knebel, K. Rafie, M. Stanley, P.D. Mabbitt, R. Sundaramoorthy, K. Hofmann, D.M.F. van Aalten and S. Virdee, "Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity", Nature (2018), 556, 381–385. PDF Pubmed 29643511
  177. D. Mariappa, A.T. Ferenbach and D.M.F. van Aalten, "Effects of hypo O-GlcNAcylation on Drosophila development", J.Biol.Chem. (2018), 293, 7209-7221. PDF Pubmed 29588363
  178. V.S. Borodkin, K. Rafi, N. Selvan, T. Aristotelous, I. Navratilova, A.T. Ferenbach and D.M.F. van Aalten, "O-GlcNAcase fragment discovery with fluorescence polarimetry", ACS Chem.Biol. (2018), 13, 1353–1360. PDF Pubmed 29641181
  179. K. Rafie, A. Gorelik, R. Trapannone, V.S. Borodkin and D.M.F. van Aalten, "Thio-linked UDP−peptide conjugates as O‐GlcNAc transferase inhibitors", Bioconjugate Chem. (2018), 29, 1834−18. PDF Pubmed 29723473
  180. O.G. Raimi, R. Hurtado-Guerrero and D.M.F. van Aalten, "Evidence for substrate-assisted catalysis in N-acetylphosphoglucosamine mutase", Biochem.J. (2018), 475, 2547-2557. PDF Pubmed 29967067
  181. V. Kapuria, U.F. Roehrig, P. Waridel, F. Lammers, V.S. Borodkin, D.M.F. van Aalten, V. Zoete and W. Herr, "The conserved threonine-rich region of the HCF-1PRO repeat activates promiscuous OGT:UDP-GlcNAc glycosylation and proteolysis activities", J.Biol.Chem. (2018), 293, 17754-17768. PDF Pubmed 30224358

    182. 2019

  182. W. Fang, A.B. Sanz, S.G. Bartual, B. Wang, A.T. Ferenbach, V. Farkaš, R. Hurtado-Guerrero, J. Arroyo and D.M.F. van Aalten, “Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases”, Nature Comms. (2019), 10, 1669. PDF Pubmed 30971696
  183. V.M. Pravata, V. Muha, M. Gundogdu, A.T. Ferenbach, P. Kakade, V. Vandadi, A.C. Wilmes, V.S. Borodkin, S. Joss, M.P. Stavridis and D.M.F. van Aalten, "O-GlcNAc transferase catalytic deficiency in twins with X-linked intellectual disability", Proc.Natl.Acad.Sci.USA, (2019), 116, 14961-14970. PDF Pubmed 31296563
  184. F. Authier, V. Muha and D.M.F. van Aalten, "A mouse model for functional dissection of TAB1 O-GlcNAcylation”, Wellcome Open Res. (2019), 4:128.
  185. A. Gorelik, S.G. Bartual, V.S Borodkin, J. Varghese, A.T. Ferenbach and D.M.F. van Aalten "Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation". Nat Struct Mol Biol (2019) 26, 1071–1077 Pubmed 31695185 .