Dighe SN, De la Mora E, Chan S, Kantham S, McColl G, Miles JA, Veliyath SK, Sreenivas BY, Nassar ZD, Silman I, Sussman JL, Weik M, McGeary RP, Parat MO, Brazzolotto X, Ross BP (2019)
Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Communications chemistry 2: 35
Lalut J, Santoni G, Karila D, Lecoutey C, Davis A, Nachon F, Silman I, Sussman JL, Weik M, Maurice T, Dallemagne P, Rochais C (2019)
Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1 receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase
Eur Journal of Medicinal Chemistry 162: 234
Santoni G, de Sousa J, De la Mora E, Dias J, Jean L, Sussman JL, Silman I, Renard PY, Brown RCD, Weik M, Baati R, Nachon F (2018)
Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents
Journal of Medicinal Chemistry 61: 7630
Zorbaz T, Braiki A, Marakovic N, Renou J, De la Mora E, Macek Hrvat N, Katalinic M, Silman I, Sussman JL, Mercey G, Gomez C, Mougeot R, Perez B, Baati R, Nachon F, Weik M, Jean L, Kovarik Z, Renard PY (2018)
Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration
Chemistry 24: 9675
Campbell EC, Kaltenbach M, Correy GJ, Carr PD, Porebski BT, Livingstone EK, Afriat-Jurnou L, Buckle AM, Weik M, Hollfelder F, Tokuriki N, Jackson CJ (2016)
The role of protein dynamics in the evolution of new enzyme function
Nat Chemical Biology 12: 944
Colletier JP, Sliwa M, Gallat FX, Sugahara M, Guillon V, Schiro G, Coquelle N, Woodhouse J, Roux L, Gotthard G, Royant A, Uriarte LM, Ruckebusch C, Joti Y, Byrdin M, Mizohata E, Nango E, Tanaka T, Tono K, Yabashi M, Adam V, Cammarata M, Schlichting I, Bourgeois D, Weik M (2016)
Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein IrisFP
J Phys Chem Lett 7: 882
Correy GJ, Carr PD, Meirelles T, Mabbitt PD, Fraser NJ, Weik M, Jackson CJ (2016)
Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure 24: 977
Fraser NJ, Liu JW, Mabbitt PD, Correy GJ, Coppin CW, Lethier M, Perugini MA, Murphy JM, Oakeshott JG, Weik M, Jackson CJ (2016)
Evolution of Protein Quaternary Structure in Response to Selective Pressure for Increased Thermostability
Journal of Molecular Biology 428: 2359
Kliachyna M, Santoni G, Nussbaum V, Renou J, Sanson B, Colletier JP, Arboleas M, Loiodice M, Weik M, Jean L, Renard PY, Nachon F, Baati R (2014)
Design, synthesis and biological evaluation of novel tetrahydroacridine pyridine- aldoxime and -amidoxime hybrids as efficient uncharged reactivators of nerve agent-inhibited human acetylcholinesterase
Eur Journal of Medicinal Chemistry 78C: 455
Oueis E, Santoni G, Ronco C, Syzgantseva O, Tognetti V, Joubert L, Romieu A, Weik M, Jean L, Sabot C, Nachon F, Renard PY (2014)
Reaction site-driven regioselective synthesis of AChE inhibitors
Org Biomol Chem 12: 156
Trapp M, Tehei M, Trovaslet M, Nachon F, Martinez N, Koza MM, Weik M, Masson P, Peters J (2014)
Correlation of the dynamics of native human acetylcholinesterase and its inhibited huperzine A counterpart from sub-picoseconds to nanoseconds
J R Soc Interface 11:
Carletti E, Colletier JP, Schopfer LM, Santoni G, Masson P, Lockridge O, Nachon F, Weik M (2013)
Inhibition pathways of the potent organophosphate CBDP with cholinesterases revealed by X-ray crystallographic snapshots and mass spectrometry
Chemical Research in Toxicology 26: 280
Jackson CJ, Liu JW, Carr PD, Younus F, Coppin C, Meirelles T, Lethier M, Pandey G, Ollis DL, Russell RJ, Weik M, Oakeshott JG (2013)
Structure and function of an insect alpha-carboxylesterase (alphaEsterase7) associated with insecticide resistance
Proc Natl Acad Sci U S A 110: 10177
Trovaslet M, Trapp M, Weik M, Nachon F, Masson P, Tehei M, Peters J (2013)
Relation between dynamics, activity and thermal stability within the cholinesterase family
Chemico-Biological Interactions 203: 14
Ronco C, Carletti E, Colletier JP, Weik M, Nachon F, Jean L, Renard PY (2012)
Huprine derivatives as sub-nanomolar human acetylcholinesterase inhibitors: from rational design to validation by X-ray crystallography
ChemMedChem 7: 400
Trapp M, Trovaslet M, Nachon F, Koza MM, van Eijck L, Hill F, Weik M, Masson P, Tehei M, Peters J (2012)
Energy landscapes of human acetylcholinesterase and its huperzine a-inhibited counterpart
J Phys Chem B 116: 14744
Carletti E, Schopfer LM, Colletier JP, Froment MT, Nachon F, Weik M, Lockridge O, Masson P (2011)
Reaction of cresyl saligenin phosphate, the organophosphorus agent implicated in aerotoxic syndrome, with human cholinesterases: mechanistic studies employing kinetics, mass spectrometry, and X-ray structure analysis
Chemical Research in Toxicology 24: 797
Sanson B, Colletier JP, Xu Y, Lang PT, Jiang H, Silman I, Sussman JL, Weik M (2011)
Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and molecular dynamics simulations
Protein Science 20: 1114
Xu Y, Colletier JP, Weik M, Qin G, Jiang H, Silman I, Sussman JL (2010)
Long route or shortcut? A molecular dynamics study of traffic of thiocholine within the active-site gorge of acetylcholinesterase
Biophysical Journal 99: 4003
Gabel F, Masson P, Froment MT, Doctor BP, Saxena A, Silman I, Zaccai G, Weik M (2009)
Direct correlation between molecular dynamics and enzymatic stability: a comparative neutron scattering study of native human butyrylcholinesterase and its aged soman conjugate
Biophysical Journal 96: 1489
Hansmann T, Sanson B, Stojan J, Weik M, Marty JL, Fournier D (2009)
Kinetic insight into the mechanism of cholinesterasterase inhibition by aflatoxin B1 to develop biosensors
Biosensors & Bioelectronics 24: 2119
Sanson B, Nachon F, Colletier JP, Froment MT, Toker L, Greenblatt HM, Sussman JL, Ashani Y, Masson P, Silman I, Weik M (2009)
Crystallographic snapshots of nonaged and aged conjugates of soman with acetylcholinesterase, and of a ternary complex of the aged conjugate with pralidoxime
Journal of Medicinal Chemistry 52: 7593
Colletier JP, Bourgeois D, Sanson B, Fournier D, Sussman JL, Silman I, Weik M (2008)
Shoot-and-Trap: use of specific x-ray damage to study structural protein dynamics by temperature-controlled cryo-crystallography
Proc Natl Acad Sci U S A 105: 11742
Xu Y, Colletier JP, Jiang H, Silman I, Sussman JL, Weik M (2008)
Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design
Protein Science 17: 601
Xu Y, Colletier JP, Weik M, Jiang H, Moult J, Silman I, Sussman JL (2008)
Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics
Biophysical Journal 95: 2500
Colletier JP, Royant A, Specht A, Sanson B, Nachon F, Masson P, Zaccai G, Sussman JL, Goeldner M, Silman I, Bourgeois D, Weik M (2007)
Use of a 'caged' analogue to study the traffic of choline within acetylcholinesterase by kinetic crystallography
Acta Crystallographica D Biol Crystallogr 63: 1115
Colletier JP, Weik M (2007)
[Exploring the conformational energy landscape of acetylcholinesterase by kinetic crystallography]
Ann Pharm Fr 65: 108
Frasco MF, Colletier JP, Weik M, Carvalho F, Guilhermino L, Stojan J, Fournier D (2007)
Mechanisms of cholinesterase inhibition by inorganic mercury
Febs J 274: 1849
Colletier JP, Sanson B, Nachon F, Gabellieri E, Fattorusso C, Campiani G, Weik M (2006)
Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor
Journal of the American Chemical Society 128: 4526
Colletier JP, Fournier D, Greenblatt HM, Stojan J, Sussman JL, Zaccai G, Silman I, Weik M (2006)
Structural insights into substrate traffic and inhibition in acetylcholinesterase
EMBO Journal 25: 2746
Gabel F, Weik M, Masson P, Renault F, Fournier D, Brochier L, Doctor BP, Saxena A, Silman I, Zaccai G (2005)
Effects of soman inhibition and of structural differences on cholinesterase molecular dynamics: a neutron scattering study
Biophysical Journal 89: 3303
Colletier JP, Fournier D, Greenblatt HM, Sussman JL, Zaccai G, Silman I, Weik M (2004)
Poster (74) Structural studies on torpedo californica acetylcholinesterase in complex with a substrate analogue
In: Cholinesterases in the Second Millennium: Biomolecular and Pathological Aspects (Inestrosa NC, Campos EO) P. Universidad Catolica de Chile-FONDAP Biomedicina: 359
Gabel F, Weik M, Doctor BP, Saxena A, Fournier D, Brochier L, Renault F, Masson P, Silman I, Zaccai G (2004)
The influence of solvent composition on global dynamics of human butyrylcholinesterase powders: a neutron-scattering study
Biophysical Journal 86: 3152
Weik M, Vernede X, Royant A, Bourgeois D (2004)
Temperature derivative fluorescence spectroscopy as a tool to study dynamical changes in protein crystals
Biophysical Journal 86: 3176
Weik M (2004)
Poster (54) Experimental approaches to study the dynamics of cholinesterases.
In: Cholinesterases in the Second Millennium: Biomolecular and Pathological Aspects (Inestrosa NC, Campos EO) P. Universidad Catolica de Chile-FONDAP Biomedicina: 349
Weik M, Berges J, Raves ML, Gros P, McSweeney S, Silman I, Sussman JL, Houee-Levin C, Ravelli RB (2002)
Evidence for the formation of disulfide radicals in protein crystals upon X-ray irradiation
J Synchrotron Radiat 9: 342
Weik M, Ravelli RB, Silman I, Sussman JL, Gros P, Kroon J (2001)
Specific protein dynamics near the solvent glass transition assayed by radiation-induced structural changes
Protein Science 10: 1953
Weik M, Ravelli RB, Kryger G, McSweeney S, Raves ML, Harel M, Gros P, Silman I, Kroon J, Sussman JL (2000)
Specific chemical and structural damage to proteins produced by synchrotron radiation
Proceedings of the National Academy of Sciences of the United States of America 97: 623