X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel

VMD: visual molecular dynamics

Humphrey, W., Dalke, A., & Schulten, K. (1996) · Journal of Molecular Graphics · doi:10.1016/0263-7855(96)00018-5 · Cited by 66,952

Coot : model-building tools for molecular graphics

Emsley, P., & Cowtan, K. (2004) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444904019158 · Cited by 30,571

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

Darden, T., York, D., & Pedersen, L. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464397 · Cited by 29,638

The PyMOL Molecular Graphics System

DeLano, W. L. (2002) · Medical Entomology and Zoology · Cited by 18,147

The CCP4 suite: programs for protein crystallography

Number Collaborative Computational Project (1994) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444994003112 · Cited by 17,317

Scalable molecular dynamics with NAMD

Phillips, J. C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R. D., Kalé, L., & Schulten, K. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20289 · Cited by 16,914

Refinement of Macromolecular Structures by the Maximum-Likelihood Method

Murshudov, G. N., Vagin, A. A., & Dodson, E. J. (1997) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444996012255 · Cited by 14,796

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

MacKerell, A. D., Bashford, D., Bellott, M., Dunbrack, R. L., Evanseck, J. D., Field, M. J., Fischer, S., Gao, J., Guo, H., Ha, S., et al. (1998) · The Journal of Physical Chemistry B · doi:10.1021/jp973084f · Cited by 14,429

PRODRG: a tool for high-throughput crystallography of protein–ligand complexes

Schüttelkopf, A. W., & van Aalten, D. M. F. (2004) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444904011679 · Cited by 4,837

MolProbity: all-atom contacts and structure validation for proteins and nucleic acids

Davis, I., Leaver‐Fay, A., Chen, V. B., Block, J. N., Kapral, G. J., Wang, X., Murray, L. W., Arendall, W. B., Snoeyink, J. S., Richardson, J. S., et al. (2007) · Nucleic Acids Research · doi:10.1093/nar/gkm216 · Cited by 3,918

Reversible multiple time scale molecular dynamics

Tuckerman, M. E., Berne, B. J., & Martyna, G. J. (1992) · The Journal of Chemical Physics · doi:10.1063/1.463137 · Cited by 3,623

Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants

Kabsch, W. (1993) · Journal of Applied Crystallography · doi:10.1107/s0021889893005588 · Cited by 3,562

Oogenesis in Xenopus laevis (Daudin). I. Stages of oocyte development in laboratory maintained animals

Dumont, J. N. (1972) · Journal of Morphology · doi:10.1002/jmor.1051360203 · Cited by 1,858

General anaesthesia: from molecular targets to neuronal pathways of sleep and arousal

Franks, N. P. (2008) · Nature Reviews Neuroscience · doi:10.1038/nrn2372 · Cited by 1,295

Structure and gating mechanism of the acetylcholine receptor pore

Miyazawa, A., Fujiyoshi, Y., & Unwin, P. N. T. (2003) · Nature · doi:10.1038/nature01748 · Cited by 1,287

Sites of alcohol and volatile anaesthetic action on GABAA and glycine receptors

Mihic, S. J., Ye, Q., Wick, M. J., Koltchine, V. V., Krasowski, M. D., Finn, S. E., Mascia, M. P., Valenzuela, C. F., Hanson, K. K., Greenblatt, E. P., et al. (1997) · Nature · doi:10.1038/38738 · Cited by 1,219

Endogenous neurosteroids regulate GABAA receptors through two discrete transmembrane sites

Hosie, A. M., Wilkins, M. E., da Silva, H. M. A., & Smart, T. G. (2006) · Nature · doi:10.1038/nature05324 · Cited by 752

Nicotinic receptors: allosteric transitions and therapeutic targets in the nervous system

Taly, A., Corringer, P., Guédin, D., Lestage, P. J., & Changeux, J. (2009) · Nature Reviews Drug Discovery · doi:10.1038/nrd2927 · Cited by 743

X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation

Bocquet, N., Nury, H., Baaden, M., Poupon, C. L., Changeux, J., Delarue, M. H., & Corringer, P. (2008) · Nature · doi:10.1038/nature07462 · Cited by 674

X-ray structure of a prokaryotic pentameric ligand-gated ion channel

Hilf, R. J. C., & Dutzler, R. (2008) · Nature · doi:10.1038/nature06717 · Cited by 665

Do general anaesthetics act by competitive binding to specific receptors?

Franks, N. P., & Lieb, W. R. (1984) · Nature · doi:10.1038/310599a0 · Cited by 572

Binding of the General Anesthetics Propofol and Halothane to Human Serum Albumin

Bhattacharya, A. A., Curry, S., & Franks, N. P. (2000) · Journal of Biological Chemistry · doi:10.1074/jbc.m005460200 · Cited by 529

Structure of a potentially open state of a proton-activated pentameric ligand-gated ion channel

Hilf, R. J. C., & Dutzler, R. (2008) · Nature · doi:10.1038/nature07461 · Cited by 526

Mutations in the channel domain alter desensitization of a neuronal nicotinic receptor

Revah, F., Bertrand, D., Galzi, J., Devillers‐Thiéry, A., Mulle, C., Hussy, N., Bertrand, S., Ballivet, M., & Changeux, J. (1991) · Nature · doi:10.1038/353846a0 · Cited by 524

Fast empirical pKa prediction by Ewald summation

Krieger, E., Nielsen, J. E., Spronk, C. A. E. M., & Vriend, G. (2006) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2006.02.009 · Cited by 475

Cholinergic and catecholaminergic receptors in the Xenopus oocyte membrane

Kusano, K., Miledi, R., & Stinnakre, J. (1982) · The Journal of Physiology · doi:10.1113/jphysiol.1982.sp014257 · Cited by 475

Scalable Molecular Dynamics with NAMD

Phillips, J. C., Schulten, K., Bhatele, A. S., Mei, C., Sun, Y., & Kalé, L. V. (2012) · University of North Texas Digital Library (University of North Texas) · Cited by 365

On the nature of allosteric transitions: Implications of non-exclusive ligand binding

Rubin, M. M., & Changeux, J. (1966) · Journal of Molecular Biology · doi:10.1016/0022-2836(66)90097-0 · Cited by 338

Ivermectin: A Positive Allosteric Effector of the α7 Neuronal Nicotinic Acetylcholine Receptor

Krause, R. M., Buisson, B., Bertrand, S., Corringer, P., Galzi, J., Changeux, J., & Bertrand, D. (1998) · Molecular Pharmacology · doi:10.1124/mol.53.2.283 · Cited by 320

A prokaryotic proton-gated ion channel from the nicotinic acetylcholine receptor family

Bocquet, N., de Carvalho, L. P., Cartaud, J., Neyton, J., Poupon, C. L., Taly, A., Grütter, T., Changeux, J., & Corringer, P. (2006) · Nature · doi:10.1038/nature05371 · Cited by 309

Identification of a GABA A Receptor Anesthetic Binding Site at Subunit Interfaces by Photolabeling with an Etomidate Analog

Li, G., Chiara, D. C., Sawyer, G. W., Husain, S. S., Olsen, R. W., & Cohen, J. B. (2006) · Journal of Neuroscience · doi:10.1523/jneurosci.3467-06.2006 · Cited by 289

Oogenesis in Xenopus laevis (Daudin)

Holland, C., & Dumont, J. N. (1975) · Cell and Tissue Research · doi:10.1007/bf00209205 · Cited by 277

Allosteric modulation of nicotinic acetylcholine receptors

Bertrand, D., & Gopalakrishnan, M. (2007) · Biochemical Pharmacology · doi:10.1016/j.bcp.2007.07.011 · Cited by 263

Differential Sensitivities of Mammalian Neuronal and Muscle Nicotinic Acetylcholine Receptors to General Anesthetics

Violet, J. M., Downie, D. L., Nakisa, R. C., Lieb, W. R., & Franks, N. P. (1997) · Anesthesiology · doi:10.1097/00000542-199704000-00017 · Cited by 208

Differentiation of Cells of the Rana pipiens Gastrula in Unconditioned Medium1

BARTH, L. G., & Barth, L. J. (1959) · Development · doi:10.1242/dev.7.2.210 · Cited by 199

One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue

Nury, H., Poitevin, F., Renterghem, C. V., Changeux, J., Corringer, P., Delarue, M. H., & Baaden, M. (2010) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1001832107 · Cited by 157

An intramembrane aromatic network determines pentameric assembly of Cys-loop receptors

Haeger, S., Kuzmin, D., Detro‐Dassen, S., Lang, N., Kilb, M., Tsetlin, V. I., Betz, H., Laube, B., & Schmalzing, G. (2009) · Nature Structural & Molecular Biology · doi:10.1038/nsmb.1721 · Cited by 95

Anesthetic Sensitivity of the Gloeobacter violaceus Proton-Gated Ion Channel

Weng, Y., Yang, L., Corringer, P., & Sonner, J. M. (2009) · Anesthesia & Analgesia · doi:10.1213/ane.0b013e3181c4bc69 · Cited by 94

Numerous Classes of General Anesthetics Inhibit Etomidate Binding to γ-Aminobutyric Acid Type A (GABAA) Receptors

Li, G., Chiara, D. C., Cohen, J. B., & Olsen, R. W. (2010) · Journal of Biological Chemistry · doi:10.1074/jbc.m109.074708 · Cited by 81

A Unitary Anesthetic Binding Site at High Resolution

Vedula, L. S., Brannigan, G. H., Economou, N. J., Jin, X., Hall, M. A., Liu, R., Rossi, M. J., Dailey, W. P., Grasty, K. C., Klein, M. L., et al. (2009) · Journal of Biological Chemistry · doi:10.1074/jbc.m109.017814 · Cited by 78

Identification of Binding Sites in the Nicotinic Acetylcholine Receptor for [3H]Azietomidate, a Photoactivatable General Anesthetic

Ziebell, M. R., Nirthanan, S., Husain, S. S., Miller, K. W., & Cohen, J. B. (2004) · Journal of Biological Chemistry · doi:10.1074/jbc.m313886200 · Cited by 77

Anionic Lipids Allosterically Modulate Multiple Nicotinic Acetylcholine Receptor Conformational Equilibria

daCosta, C. J. B., Medaglia, S. A., Lavigne, N., Wang, S., Carswell, C. L., & Baenziger, J. E. (2009) · Journal of Biological Chemistry · doi:10.1074/jbc.m109.048280 · Cited by 68

GABA-Induced Intersubunit Conformational Movement in the GABA A Receptor α1M1-β2M3 Transmembrane Subunit Interface: Experimental Basis for Homology Modeling of an Intravenous Anesthetic Binding Site

Bali, M., Jansen, M., & Akabas, M. H. (2009) · Journal of Neuroscience · doi:10.1523/jneurosci.6090-08.2009 · Cited by 63

Comparative modeling of a GABAA alpha1 receptor using three crystal structures as templates

Trudell, J. R., & Bertaccini, E. J. (2004) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2004.03.004 · Cited by 45

Modulation of Nicotinic Acetylcholine Receptor Conformational State by Free Fatty Acids and Steroids

Nievas, G. A. F., Barrantes, F. J., & Antollini, S. S. (2008) · Journal of Biological Chemistry · doi:10.1074/jbc.m800345200 · Cited by 43

Crystal structure of isoflurane bound to integrin LFA‐1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems

Zhang, H., Astrof, N. S., Liu, J., Wang, J., & Shimaoka, M. (2009) · The FASEB Journal · doi:10.1096/fj.09-129908 · Cited by 41

Sites of alcohol and volatile anesthetic action on glycine receptors

Lobo, I. A., & Harris, R. A. (2005) · International Review of Neurobiology · doi:10.1016/s0074-7742(04)65003-3 · Cited by 40

Functional Complementation ofGlra1spd-ot, a Glycine Receptor Subunit Mutant, by Independently Expressed C-Terminal Domains

Villmann, C., Oertel, J., Ma‐Högemeier, Z., Hollmann, M., Sprengel, R., Becker, K., Breitinger, H., & Becker, C. (2009) · Journal of Neuroscience · doi:10.1523/jneurosci.4400-08.2009 · Cited by 26

Experimental and theoretical approaches to conscious processing

Dehaene, S., & Changeux, J.-P. (2011) · Neuron · doi:10.1016/j.neuron.2011.03.018 · Cited by 2,573

Crystal structure of a human GABAA receptor

Miller, P. S., & Aricescu, A. R. (2014) · Nature · doi:10.1038/nature13293 · Cited by 734

Allostery and the Monod-Wyman-Changeux Model After 50 Years

Changeux, J. (2012) · Annual Review of Biophysics · doi:10.1146/annurev-biophys-050511-102222 · Cited by 406

Shared structural mechanisms of general anaesthetics and benzodiazepines

Kim, J. J., Gharpure, A., Teng, J., Zhuang, Y., Howard, R. J., Zhu, S., Noviello, C., Walsh, R. M., Lindahl, E. R., & Hibbs, R. E. (2020) · Nature · doi:10.1038/s41586-020-2654-5 · Cited by 403

GABAA receptor: Positive and negative allosteric modulators

Olsen, R. W. (2018) · Neuropharmacology · doi:10.1016/j.neuropharm.2018.01.036 · Cited by 369

Allosteric Transition and Pharmacological Modulation of Pentameric Channel-Receptors: The Case of General Anesthetics

Corringer, P., Nury, H., Renterghem, C. V., Yeng, Y., Tran, A., Baaden, M., Changeux, J., Sonner, J. M., & Delarue, M. H. (2012) · Biophysical Journal · doi:10.1016/j.bpj.2011.11.060

Study of the Interaction Between General Anesthetics and a Bacterial Homologue to the Human Nicotinic Receptor

Laurent, B., Baaden, M., Delarue, M. H., & Corringer, P. (2012) · Biophysical Journal · doi:10.1016/j.bpj.2011.11.640

X-Ray Crystallographic Studies for Revealing Binding Sites of General Anesthetics in Pentameric Ligand-Gated Ion Channels

Chen, Q., Xu, Y., & Tang, P. S. (2018) · Methods in enzymology on CD-ROM/Methods in enzymology · doi:10.1016/bs.mie.2018.01.017 · Cited by 2

The allosteric regulation of general anesthetics on protein models and ion channels as well as their target sites

Gao, S. (2014) · Guoji mazuixue yu fusu zazhi · doi:10.3760/cma.j.issn.1673-4378.2014.01.019

Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels

Fourati, Z., Howard, R. J., Heusser, S. A., Hu, H., Ruza, R. R., Sauguet, L., Lindahl, E. R., & Delarue, M. H. (2018) · Cell Reports · doi:10.1016/j.celrep.2018.03.108 · Cited by 34