Cation-π interactions and their functional roles in membrane proteins.

[1]  Suwen Zhao,et al.  G protein-coupled receptors: structure- and function-based drug discovery , 2021, Signal Transduction and Targeted Therapy.

[2]  W. L. Jorgensen,et al.  Explicit Representation of Cation-π Interactions in Force Fields with 1/r4 Nonbonded Terms. , 2020, Journal of chemical theory and computation.

[3]  C. Chipot,et al.  Accurate Description of Cation-π Interactions in Proteins with a Non-Polarizable Force Field at no Additional Cost. , 2020, Journal of chemical theory and computation.

[4]  A. Karlin,et al.  Structure of the Native Muscle-type Nicotinic Receptor and Inhibition by Snake Venom Toxins , 2020, Neuron.

[5]  N. Reuter,et al.  Interfacial Aromatics Mediating Cation-Π Interactions with Choline Containing Lipids Can Contribute As Much To Peripheral Protein Affinity for Membranes as Aromatics Inserted Below the Phosphates. , 2019, The journal of physical chemistry letters.

[6]  D. Minor,et al.  Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins , 2019, Science Advances.

[7]  N. Yan,et al.  Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins , 2019, Science.

[8]  Alexander D. MacKerell,et al.  Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force Field. , 2018, Journal of chemical theory and computation.

[9]  C. Chipot,et al.  Modeling induction phenomena in amino acid cation–$$\pi $$π interactions , 2018, Theoretical Chemistry Accounts.

[10]  Yifan Cheng Membrane protein structural biology in the era of single particle cryo-EM. , 2018, Current opinion in structural biology.

[11]  Jejoong Yoo,et al.  New tricks for old dogs: improving the accuracy of biomolecular force fields by pair-specific corrections to non-bonded interactions. , 2018, Physical chemistry chemical physics : PCCP.

[12]  J. Lueck,et al.  Orthogonality of Pyrrolysine tRNA in the Xenopus oocyte , 2018, Scientific Reports.

[13]  G. Lamoureux,et al.  Cation-π Interactions between Quaternary Ammonium Ions and Amino Acid Aromatic Groups in Aqueous Solution. , 2018, The journal of physical chemistry. B.

[14]  David E. Gloriam,et al.  Trends in GPCR drug discovery: new agents, targets and indications , 2017, Nature Reviews Drug Discovery.

[15]  A. Cembella,et al.  Guanidinium Toxins and Their Interactions with Voltage-Gated Sodium Ion Channels , 2017, Marine drugs.

[16]  D. Minor,et al.  K2P2.1(TREK-1):activator complexes reveal a cryptic selectivity filter binding site , 2017, Nature.

[17]  Jeffery M. Tharp,et al.  Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader. , 2016, Chemical communications.

[18]  C. L. Morales-Pérez,et al.  X-ray structure of the human α4β2 nicotinic receptor , 2016, Nature.

[19]  Horacio D Espinosa,et al.  Micro- and Nanoscale Technologies for Delivery into Adherent Cells. , 2016, Trends in biotechnology.

[20]  S. Petrou,et al.  Role of Sodium Channels in Epilepsy. , 2016, Cold Spring Harbor perspectives in medicine.

[21]  J. Payandeh,et al.  The hitchhiker’s guide to the voltage-gated sodium channel galaxy , 2016, The Journal of general physiology.

[22]  D. Dougherty,et al.  Cation-π interactions: computational analyses of the aromatic box motif and the fluorination strategy for experimental evaluation. , 2015, Physical chemistry chemical physics : PCCP.

[23]  W. Goddard,et al.  G protein‐coupled odorant receptors: From sequence to structure , 2015, Protein science : a publication of the Protein Society.

[24]  Pengfei Li,et al.  Parameterization of Highly Charged Metal Ions Using the 12-6-4 LJ-Type Nonbonded Model in Explicit Water , 2014, The journal of physical chemistry. B.

[25]  J. Wess,et al.  Activation and allosteric modulation of a muscarinic acetylcholine receptor , 2013, Nature.

[26]  Albert C. Pan,et al.  Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs , 2013, Nature.

[27]  B. Stec,et al.  The Cation-π Box Is a Specific Phosphatidylcholine Membrane Targeting Motif* , 2013, The Journal of Biological Chemistry.

[28]  Q. Du,et al.  The multiple roles of histidine in protein interactions , 2013, Chemistry Central Journal.

[29]  Eric Gouaux,et al.  A fluorescence-detection size-exclusion chromatography-based thermostability assay for membrane protein precrystallization screening. , 2012, Structure.

[30]  S. Lummis,et al.  Two Amino Acid Residues Contribute to a Cation-π Binding Interaction in the Binding Site of an Insect GABA Receptor , 2011, The Journal of Neuroscience.

[31]  J. Galpin,et al.  Molecular basis for class Ib anti-arrhythmic inhibition of cardiac sodium channels. , 2011, Nature communications.

[32]  T. Springer,et al.  Cation-π interaction regulates ligand-binding affinity and signaling of integrin α4β7 , 2010, Proceedings of the National Academy of Sciences.

[33]  Noritaka Nishida,et al.  Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces. , 2008, Molecular cell.

[34]  H. Lester,et al.  A Cation-π Interaction in the Binding Site of the Glycine Receptor Is Mediated by a Phenylalanine Residue , 2008, The Journal of Neuroscience.

[35]  Timothy A. Springer,et al.  Structural basis for distinctive recognition of fibrinogen γC peptide by the platelet integrin αIIbβ3 , 2008, The Journal of cell biology.

[36]  R. Horn,et al.  Electrostatic Contributions of Aromatic Residues in the Local Anesthetic Receptor of Voltage-Gated Sodium Channels , 2008, Circulation research.

[37]  R. Horn,et al.  Calcium block of single sodium channels: role of a pore-lining aromatic residue. , 2007, Biophysical journal.

[38]  R. Horn,et al.  A Cation-π Interaction Discriminates among Sodium Channels That Are Either Sensitive or Resistant to Tetrodotoxin Block* , 2007, Journal of Biological Chemistry.

[39]  D. A. Dougherty,et al.  Unnatural Amino Acid Mutagenesis of the GABAA Receptor Binding Site Residues Reveals a Novel Cation–π Interaction between GABA and β2Tyr97 , 2007, The Journal of Neuroscience.

[40]  C. Starmer,et al.  Slow Sodium Channel Inactivation and Use-dependent Block Modulated by the Same Domain IV S6 Residue , 2005, The Journal of Membrane Biology.

[41]  A. M. Rush,et al.  Gain-of-function mutation in Nav1.7 in familial erythromelalgia induces bursting of sensory neurons. , 2005, Brain : a journal of neurology.

[42]  P. Ruben,et al.  Evolutionary diversification of TTX-resistant sodium channels in a predator–prey interaction , 2005, Nature.

[43]  Alexander D. MacKerell,et al.  A simple polarizable model of water based on classical Drude oscillators , 2003 .

[44]  L. Prézeau,et al.  Closure of the Venus flytrap module of mGlu8 receptor and the activation process: Insights from mutations converting antagonists into agonists , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[45]  Niki M Zacharias,et al.  Cation-pi interactions in ligand recognition by serotonergic (5-HT3A) and nicotinic acetylcholine receptors: the anomalous binding properties of nicotine. , 2002, Biochemistry.

[46]  N. Kunishima,et al.  Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+ , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[47]  Andrew D. Ellington,et al.  Selection and Characterization of Escherichia coliVariants Capable of Growth on an Otherwise Toxic Tryptophan Analogue , 2001, Journal of bacteriology.

[48]  T. Sixma,et al.  Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors , 2001, Nature.

[49]  S. Nakanishi,et al.  Structural basis of glutamate recognition by a dimeric metabotropic glutamate receptor , 2000, Nature.

[50]  J. Gallivan,et al.  A Computational Study of Cation−π Interactions vs Salt Bridges in Aqueous Media: Implications for Protein Engineering , 2000 .

[51]  Christophe Chipot,et al.  Cation−π Interactions in Proteins: Can Simple Models Provide an Accurate Description? , 1999 .

[52]  D. A. Dougherty,et al.  Cation-π interactions in structural biology , 1999 .

[53]  H. Fozzard,et al.  Differences in saxitoxin and tetrodotoxin binding revealed by mutagenesis of the Na+ channel outer vestibule. , 1998, Biophysical journal.

[54]  D. A. Dougherty,et al.  From ab initio quantum mechanics to molecular neurobiology: a cation-pi binding site in the nicotinic receptor. , 1998, Proceedings of the National Academy of Sciences of the United States of America.

[55]  S. Moss,et al.  A single serine residue confers tetrodotoxin insensitivity on the rat sensory‐neuron‐specific sodium channel SNS , 1997, FEBS letters.

[56]  D. Clapham,et al.  Ion channels--basic science and clinical disease. , 1997, The New England journal of medicine.

[57]  N S Scrutton,et al.  Cation-pi bonding and amino-aromatic interactions in the biomolecular recognition of substituted ammonium ligands. , 1996, The Biochemical journal.

[58]  H. Lester,et al.  An Engineered Tetrahymena tRNAGln for in Vivo Incorporation of Unnatural Amino Acids into Proteins by Nonsense Suppression* , 1996, The Journal of Biological Chemistry.

[59]  W. Catterall,et al.  Common molecular determinants of local anesthetic, antiarrhythmic, and anticonvulsant block of voltage-gated Na+ channels. , 1996, Proceedings of the National Academy of Sciences of the United States of America.

[60]  Peter A. Kollman,et al.  Molecular Dynamics Potential of Mean Force Calculations: A Study of the Toluene−Ammonium π-Cation Interactions , 1996 .

[61]  Sandro Mecozzi,et al.  Cation−π Interactions in Simple Aromatics: Electrostatics Provide a Predictive Tool , 1996 .

[62]  D. A. Dougherty,et al.  Cation-π Interactions in Chemistry and Biology: A New View of Benzene, Phe, Tyr, and Trp , 1996, Science.

[63]  J. Galzi,et al.  Neuronal nicotinic receptors: Molecular organization and regulations , 1995, Neuropharmacology.

[64]  N. Davidson,et al.  Nicotinic receptor binding site probed with unnatural amino acid incorporation in intact cells. , 1995, Science.

[65]  Peter A. Kollman,et al.  Cation-.pi. Interactions: Nonadditive Effects Are Critical in Their Accurate Representation , 1995 .

[66]  W. Catterall,et al.  Molecular determinants of state-dependent block of Na+ channels by local anesthetics. , 1994, Science.

[67]  A. Goldman,et al.  Atomic structure of acetylcholinesterase from Torpedo californica: a prototypic acetylcholine-binding protein , 1991, Science.

[68]  D A Dougherty,et al.  Acetylcholine binding by a synthetic receptor: implications for biological recognition , 1990, Science.

[69]  P G Schultz,et al.  A general method for site-specific incorporation of unnatural amino acids into proteins. , 1989, Science.

[70]  M. Levitt,et al.  Aromatic Rings Act as Hydrogen Bond Acceptors , 2022 .

[71]  C. Antzelevitch,et al.  Cardiac Arrhythmias Related to Sodium Channel Dysfunction. , 2018, Handbook of experimental pharmacology.

[72]  Klaus Schulten,et al.  Polarizable intermolecular potentials for water and benzene interacting with halide and metal ions. , 2009, Journal of chemical theory and computation.

[73]  H. Lester,et al.  Unnatural amino acid mutagenesis of the GABA(A) receptor binding site residues reveals a novel cation-pi interaction between GABA and beta 2Tyr97. , 2007, The Journal of neuroscience : the official journal of the Society for Neuroscience.

[74]  D. A. Dougherty,et al.  Cation-pi interactions in structural biology. , 1999, Proceedings of the National Academy of Sciences of the United States of America.

[75]  G. Lukács,et al.  Pharmacological and biochemical properties of saxiphilin, a soluble saxitoxin-binding protein from the bullfrog (Rana catesbeiana). , 1991, Toxicon : official journal of the International Society on Toxinology.