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Study of macromolecular systems using the wide range of technology platforms available in the Partnership for Structural Biology, including neutron and X-ray diffraction.

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  • Coupling of protein and hydration water dynamics in biological membranes, Wood, K., P. lazanet, M., Kessler, B., Gabel, F., Oesterhelt, D., Tobias, D., Zaccai, G. & Weik, M., (2007) Proc. Natl. Acad. Sci. USA 104, 18049-18054 [DOI pnas.0706566104].
  • NMR Crystallography: The effect of deuteration on high resolution 13C solid state NMR spectra of a 7-TM protein, K. Varga, L. Aslimovska, I.M. Parrot, M.-T. Dauvergne, M. Haertlein, V.T. Forsyth, A. Watts, Biochim. Biophys. Acta. 1768, 3029-3035 (2007). Adaptation to high temperatures through macromolecular dynamics by neutron scattering, Tehei, M., and Zaccai, G., (2007) FEBS Journal 274, 4034–4043.
  • Shape and subunit organisation of the DNA methyltransferase M.Ahdl, Callow, P., Sukhodub, A., Taylor, J., Kneale, G., J. Mol. Biol. 69, 177-185 (2007). A methodology and an instrument for the temperature-controlled optimization of crystal growth, Budayova-Spano, M. , Dauvergne,F., Audiffren, M., Bactivelane, T., Cusack, S., (2007) Acta Cryst. D63, 339–347.
  • Neutron scattering reveals extremely slow cell water in a Dead Sea organism. M. Tehei, B. Franzetti, K. Wood, F. Gabel, E. Fabiani, M. Jasnin, M. Zamponi, D. Oesterhelt, G. Zaccai, M. Ginzburg and B.-Z. Ginzburg (2007). PNAS, 104(3), 687-1104.
  • A methodology and an instrument for the temperature-controlled optimization of crystal growth. M. Budayova-Spano, F. Dauvergne, M. Audiffren, T. Bactivelane and S. Cusack. (2007). Acta Cryst. D63, 3, 339-347.
  • The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase. X. Liu, B. L. Hanson, P. Langan and R.E.Viola (2007). Acta Cryst. D63, 1000-1008.
  • Expression, purification, assay, and crystal structure of perdeuterated human arginase I. Di Costanzo, L., Moulin, M., Haertlein, M., Meilleur, F., Christianson, D.W (2007). Arch. Biochem. Biophys. 465(1), 82-89.
  • Adaptation to high temperatures through macromolecular dynamics by neutron scattering, Tehei, M., and Zaccai, G. (2007). FEBS Journal 274, 4034–4043.
  • Shape and subunit organisation of the DNA methyltransferase M.Ahdl, Callow, P., Sukhodub, A., Taylor, J., Kneale, G., (2007). J.Mol. Biol. 69 (1), 177-185.
  • Neutron scattering reveals extremely slow cell water in Dead Sea organisms, Tehei, M., Franzetti, B., Wood, K., Gabel, F., Fabiani, E., Jasnin, M., Zamponi, M., Oesterhelt, D., Zaccai, G., Ginzburg, M., Ginzburg, B.-Z. (2007). Proc. Nat. Acad. Sci 104 (3), 766-771.


  • Structural studies on acridine derivatives binding to telomeric DNA. Miles, S., Callow, P., Teixeira, S.C.T., Gan, Y., Denny, W., Cardin, C., Forsyth, V.T. (2006). Physica B 845, 385-386.
  • Efficient characterization of protein secondary structure in terms of screw motions, G.Kneller, P.Calligari (2006). Acta Cryst D62, 302-311.
  • A preliminary neutron diffraction study of Rasburicase, recombinant urate oxidase enzyme, complexed with 8-azaxanthin. Budayova-Spano M., Bonneté F., Ferté N., El Hajji M., Meilleur F., Blakeley M., Castro B. (2006). Acta Cryst. F62, 306-309.
  • High-Angle Neutron Fibre Diffraction in the Study of Biological systems.Forsyth, V.T., and Parrot, I.M. (2006). Neutron Scattering in Biology - Techniques and Applications, Springer Series on Biological and Medical Physics/Biomedical Engineering, Eds Fitter, J., Gutberlet, T., Katsaras, J.
  • Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II. Budayova-Spano, M., Zoe Fisher, S., Dauvergne, M.-T., Agbandje-McKenna, M., Silverman, D.N., Myles, D., McKenna, R. (2006). Acta Cryst. F62, 4-9.
  • Discovering New Classes of Brugia malayi Asparaginyl tRNA Synthetase Inhibitors and Relating Specificity to Conformational Change. S. C. K. Sukuru, T. Crepin, Y. Milev, L. C. Marsh, J. B. Hill, R. J. Anderson, J. C. Morris, A. Rohatgi, G. O'Mahony, M. Grotli, F. Danel, Y. Milev, M. G. P. Page, M. Hartlein, S. Cusack, M. A. Kron, and L. A. Kuhn. (2006). J. Comp.-Aided Mol. Design 20(3): 159-178 (DOI 10.1007/s10822-006-9043-5).
  • Brugia malayi asparaginyl-Transfer RNA synthetase Induces Chemotaxis of human leucocytes and activates G-protein-coupled receptors CXCR1 and CXCR2. Ramirez, B.L., Howard, O.M., Dong, H.F., Edamatsu, T., Gao, P., Haertlein, M., Kron, M. (2006). J. Infec. Dis. 193 (8), 1164-71.
  • X-rays and neutrons for the study of DNA structure, transitions and hydration. Parrot, I.M., Laux, V., Urban, V., Haertlein, M., Forsyth, V.T. (2006). Physica B 848, 385-386.
  • Neutrons in biology: Institut Laue - Langevin, 4-7 September 2005, Deme B, Forsyth T, Fragneto G, Hartlein M, May R, Timmins P, Zaccai G., Eur Biophys J. (2006), 35(7):549-50.


  • Production and X-ray crystallographic analysis of fully deuterated cytochrome P450cam. Meilleur F, Dauvergne MT, Schlichting I, Myles D.A. (2005). Acta Cryst. D61(5), 539-44.
  • Protonation states in human aldose reductase observed with high resolution X-ray crystallography and preliminary neutron diffraction results, Blakeley M., Hazemann, I. Mitschler, A., Meilleur, F., Dauvergne, Haertlein, M,  El-Kabbani, O., Cousido, A., van Zandt, M., Oka, M., Joachimiak, A., Petrova, T., Myles, D.A.A.,Podjarni, A.D., Chapter 2, Neutron Crystallography, 87-102, In Hydrogen- and Hydration-Sensitive Structural Biology, Eds. Nimura, N. Mizuno, H., Helliwell, J.R.and Westhof, E.
  • High-resolution neutron protein crystallography with radically small crystal volumes: application of perdeuteration to human aldose reductase. Hazemann I, Dauvergne MT,Blakeley MP, Meilleur F, Haertlein M, Van Dorsselaer A, Mitschler A, Myles D.A., Podjarny A. (2005). Acta Cryst. D61, 10, 1413-7.
  • Real time characterization of intermediates in the pathway to open complex formation by RNA polymerase. Sclavi, B., Zaychikov, E., Rogozina, A., Walther, F., Buckle, M.,Heumann, H. (2005). PNAS 102, 4706-4711.
  • Effects of soman inhibition and of structural differences on cholinesterase molecular dynamics: a neutron scattering study. Gabel, F., Weik, M., Masson, P., Renault, F., Fournier, D., Brochier, L., Doctor, B., Saxena, A., Silman, I. & Zaccai, G. (2005). Biophys J. 89(5), 3303-11.
  • Liquid-like water confined in stacks of biological membranes at 200 k and its relation to protein dynamics. Weik, M., Lehnert, U. & Zaccai, G. (2005). Biophys J., Biophys J. 89(5), 3639-46.
  • Etudes par diffraction de fibres de l’ADN double brin. Forsyth, V.T. and Parrot, I.M. (2005). Journal de Physique IV, 130, 63-74.
  • Combined X-ray and Neutron Fibre Diffraction Studies of Biological and Synthetic Polymers. Parrot, I.M., Urban, V., Gardner, K.H., Forsyth, V.T.(2005). Nucl. Instr. Meth. in Phys. Res., B238, 7-15.
  • Neutron scattering reveals the dynamic basis of protein adaptation to extreme temperature. Tehei, M., Madern, D., Franzetti, B., Zaccai, G. (2005). J Biol Chem. 9, 280(49), 40974-9.
  • A comparison of refined X-ray structures of hydrogenated and perdeuterated ray gamma E crystallin in H2O and D2O. Artero, J.B., Hartlein, M., McSweeny, S., Timmins, P.A. (2005). Acta Cryst. D61, 1541-1549.
  • Do tissue levels of autoantigenic aminoacyl-tRNA synthetase predict clinical disease? Kron, M.A., Petridis, M., Haertlein, M., Libranda-Ramirez, B., Scaffidi, L.E. (2005). Med Hypotheses, 65(6), 1124-7.
  • Aminoacyl-tRNA Synthetases and Disease in the Aminoacyl-tRNA synthetases, Kron M, Härtlein M. Landes Biosciences Publishers.  Eds: Michael Ibba, Christopher Franklyn and Stephen Cusack. (2005).


  • Water-DNA interactions by x-ray and neutron fibre diffraction. Fuller, W., Forsyth, V.T., Mahendrasingam, A. (2004). Phil. Trans. Roy. Soc. 359, 1448, 1237-1248.
  • Structural stability and dynamics of hydrogenated and perdeuterated cytochrome P450cam (CYP101). Meilleur F, Contzen J, Myles DA, Jung C. (2004). Biochemistry 13, 8744-53.


  • Expression, Localization and Alternative Function of asparaginyl-tRNA synthetase
    in Brugia malayi.  M. Kron, M. Petridis, Y. Milev, J Leykam, M Härtlein. (2003), Molecular and Biochemical Parasitology, 129 (1), 33-39
  • Strategies for antifilarial drug development, Kron M, Kuhn L, Sanschagrin , P.C., M Härtlein, Grotli M and Cusack S. (2003), J Parasitology 89(Suppl.) S226-S235


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