Aarhus Universitets segl

Publications 1995-2021

Publications 1995-2021

Full list of publications in peer reviewed scientific journals

My current H-factor is 62, with an average of 58 citations each for my 194 peer-reviewed publications, 118 of which have been cited at least 25 times each.


  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.


  1. 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.
  2. 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.
  3. 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.
  4. 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.
  5. 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. 
  6. 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. 
  7. 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.


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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. 


  1. 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. 
  2. 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.
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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. 
  7. 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. 


  1. 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.
  2. 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. 


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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 fromSerratia marcescens at 1.9 Å resolution", Proc. Natl. Acad. Sci. USA (2000), 97, 5842-5847. 
  5. 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.
  6. 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. 
  7. 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. 


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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. 
  7. 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.
  8. 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. 


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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. 
  7. 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. 
  8. 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. 
  9. R.M. Biondi, D. Komander, C.C. Thomas, J.M. Lizcano, M. Deak, D.R. Alessi, andD.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. 
  10. 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. 


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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. 
  7. 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. 


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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.
  6. 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.
  7. 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. 
  8. 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. 
  9. 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.
  10. 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. 
  11. 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. 
  12. 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. 
  13. 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. 


  1. 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. 
  2. 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. 
  3. 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 marcescenschitin-binding protein CBP21", J. Biol. Chem. (2005), 280, 11313-11319. 
  4. 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. 
  5. 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. 
  6. 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.  
  7. 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. 
  8. 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. 
  9. 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. 
  10. 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. 


  1. 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. 
  2. 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.  
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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. 
  7. 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.
  8. 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. 
  9. 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. 
  10. 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. 
  11. 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.  


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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. 


  1. 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. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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 of envelope", Retrovirology (2008), 5, 70. 
  6. 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. 
  7. 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. 
  8. 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.
  9. D.M.F. van Aalten and N.C.J. Strynadka, "Putting glycobiology on a structural footing", Curr. Opin. Struct. Biol. (2008), 18, 525-526. 


  1. 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.  
  2. 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.  
  3. 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.   
  4. 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.   
  5. 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.   
  6. 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.   
  7. 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.   


  1. 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.  
  2. 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.   
  3. 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.   
  4. 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.  
  5. 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.  
  6. 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.  
  7. 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.   
  8. 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.   
  9. E. Zeqiraj and D.M.F. van Aalten, "Pseudokinases - remnants of evolution or key allosteric regulators?", Curr.Opin.Struct.Biol. (2010), 20, 772-781.   


  1. 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.  
  2. 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.   
  3. L.M. Gay, X. Zheng and D.M.F. van Aalten, "O-GlcNAc transfer : size matters",Nature Chem.Biol. (2011), 7, 134-135.   
  4. 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. 
  5. 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).  
  6. 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. 
  7. 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.  


  1. 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, “TheVibrio cholerae colonization factor GbpA possesses a modular structure that governs binding to different host surfaces”, PLOS Pathog. (2012), 8, e1002373.  
  2. 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.   
  3. 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.   
  4. 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.  
  5. 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.   
  6. 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.   
  7. 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.  
  8. 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.  


  1. 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.   
  2. 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.   
  3. 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.   
  4. 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.  
  5. W. Fang, T. Du, O.G. Raimi, R. Hurtado-Guerrero, K, Marino, 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.   
  6. 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.   
  7. 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.   
  8. 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.  
  9. A. Ostrowski and D.M.F. van Aalten, "Chemical tools to probe cellular O-GlcNAc signalling", Biochem.J. (2013), 456, 1-12.  


  1. 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. (2013), 457, 497-502. 
  2. 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. 
  3. 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. 
  4. 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. 
  5. 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. 
  6. 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.M.F 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. 


  1. 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. 
  2. 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. 
  3. 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. 
  4. T. Jank, S. Eckerle, M. Steinemann, C. Trillhaase, M. Schimpl, 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. 
  5. A. Kazlauskaite, R.J. Martinez-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. 
  6. 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", Nature Struct.Mol.Biol. (2015), 22, 744-750. 
  7. 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. 
  8. 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.
  9. 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.
  10. 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.


  1. 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.
  2. 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.
  3. 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
  4. 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. 
  5. 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. 


  1. 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. 
  2. 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.
  3. 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.
  4. 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. 
  5. 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.
  6. 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. 


  1. 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
  2. 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. 
  3. 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.
  4. 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, pages381–385.
  5. 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.
  6. 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. 
  7. 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.
  8. 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. 
  9. 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-1(PRO) repeat activates promiscuous OGT:UDP-GlcNAc glycosylation and proteolysis activities", J.Biol.Chem. (2018), 293, 17754-17768.


  1. 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.
  2. V. Muha, R. Williamson, R. Hills, A.D. McNeilly, T.G. McWilliams, J. Alonso, M. Schimpl,
    A.C. Leney, A.J. R.
    Heck, C. Sutherland, K.D. Read, R.J. McCrimmon, S.P. Brooks and D.M.F. van Aalten, “Loss of CRMP2 O-GlcNAcylation leads to reduced novel object recognition performance in mice”, Open Biol. (2019), 9:190192.
  3. 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.
  4. 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, "Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability", Proc.Natl.Acad.Sci.USA, (2019), 116, 14961-14970.
  5. 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”, Nature Struct.Mol.Biol. (2019), 26, 1071–1077.


  1. V.M. Pravata, M. Gundogdu, S.G. Bartual, A.T. Ferenbach, M. Stavridis, K. Õunap, S. Pajusalu, R. Žordania, M.H. Wojcik and D.M.F. van Aalten, “A missense mutation in the catalytic domain of O-GlcNAc transferase links perturbations in protein O-GlcNAcylation to X-linked intellectual disability”, FEBS Lett. (2020), 594, 717-727.
  2. V.M. Pravata, M. Omelkova, M.P. Stavridis, C.M. Desbiens, H.M. Stephen, D.J. Lefeber, J. Gecz, M. Gundogdu, K. Õunap, S. Joss, C.E. Schwartz, L. Wells and D.M.F. van Aalten, “An intellectual disability syndrome with single nucleotide variants in O-GlcNAc transferase”, Eur.J.Hum.Gen. (2020), 28, 706-714.
  3. O.G. Raimi, R. Hurtado-Guerrero, V. Borodkin, A. Ferenbach, M.D. Urbaniak, M.A.J. Ferguson and D.M.F. van Aalten, “A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor”, RSC Chem.Biol. (2020), 1, 13.
  4. D.E.A. Lockhart, M. Stanley, O.G. Raimi, D.A. Robinson, D. Boldovjakova, D.R. Squair, A.T. Ferenbach, W. Fang and D.M.F. van Aalten, “Targeting a critical step in fungal hexosamine biosynthesis”, J.Biol.Chem. (2020), 295, 8678-8691.
  5. A. Gorelik and D.M.F. van Aalten, “Tools for functional dissection of site-specific O-GlcNAcylation”, RSC Chem.Biol. (2020), 1, 98-109.
  6. V. Muha, M. Fenckova, A.T. Ferenbach, M. Catinozzi, I. Eidhof, E. Storkebaum, A. Schenck and D.M.F. van Aalten, “O-GlcNAcase contributes to cognitive function in Drosophila”, J.Biol.Chem. (2020), 295, 8636-8646.
  7. C. Fu and D.M.F. van Aalten, “Native detection of protein O-GlcNAcylation by gel electrophoresis”, Analyst (2020), 145, 6826-6830.


  1. X. Chen, O.G. Raimi, A.T. Ferenbach and D.M.F. van Aalten, “A missense mutation in a patient with developmental delay affects the activity and structure of the hexosamine biosynthetic pathway enzyme AGX1”, FEBS Lett. (2021), 110-122.
  2. V. Muha, F. Authier, Z. Szoke-Kovacs, S. Johnson, J. Gallagher, A. McNeilly, R.J. McCrimmon, L. Teboul and D.M.F. van Aalten, “Loss of O-GlcNAcase catalytic activity leads to defects in mouse embryogenesis”, J.Biol.Chem. (2021), in press.
  3. Y. Zhang, W. Fang, O.G. Raimi, D.E.A Lockhart, A.T. Ferenbach, L. Lu and D.M.F. van Aalten, “Genetic and structural validation of phosphomannomutase as a cell wall target in Aspergillus fumigatus”, Mol.Micro. (2021), in press.
  4. S.G. Bartual, W. Wei, Y. Zhou, W. Fang, K. Yan, A.T. Ferenbach, D.E.A. Lockhart and D.M.F. van Aalten, “The citron homology dom