Insights into channel dysfunction from modelling and molecular dynamics simulations

Maria Musgaard; Teresa Paramo; Laura Domicevica; Ole Juul Andersen; Philip C. Biggin

doi:10.1016/j.neuropharm.2017.06.030

MiRP1 forms IKr potassium channels with HERG and is associated with cardiac arrhythmia

Abbott, G.W.; Sesti, F.; Splawski, I.; Buck, M.E.; Lehmann, M.H.; Timothy, K.W.; Keating, M.T.; Goldstein, S.A.N.

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Abraham, M.J.; Murtola, T.; Schulz, R.; Páll, S.; Smith, J.C.; Hess, B.; Lindahl, E.

Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist

Ahuja, S.; Mukund, S.; Deng, L.; Khakh, K.; Chang, E.; Ho, H.; Shriver, S.; Young, C.; Lin, S.; Johnson, J.P.; Wu, P.; Li, J.; Coons, M.; Tam, C.; Brillantes, B.; Sampang, H.; Mortara, K.; Bowman, K.K.; Clark, K.R.; Estevez, A.; Xie, Z.; Verschoof, H.; Grimwood, M.; Dehnhardt, C.; Andrez, J.-C.; Focken, T.; Sutherlin, D.P.; Safina, B.S.; Starovasnik, M.A.; Ortwine, D.F.; Franke, Y.; Cohen, C.J.; Hackos, D.H.; Koth, C.M.; Payandeh, J.

Allosteric modulation balances thermodynamic stability and restores function of ΔF508 CFTR

Aleksandrov, A.A.; Kota, P.; Cui, L.; Jensen, T.; Alekseev, A.E.; Reyes, S.; He, L.; Gentzsch, M.; Aleksandrov, L.A.; Dokholyan, N.V.; Riordan, J.R.

Functional interaction between S1 and S4 segments in voltage-gated sodium channels revealed by human channelopathies

Amarouch, M.-Y.; Kasimova, M.A.; Tarek, M.; Abriel, H.

Inhibitory mechanisms and binding site location for serotonin selective reuptake inhibitors on nicotinic acetylcholine receptors

Arias, H.R.; Feuerbach, D.; Bhumireddy, P.; Ortells, M.O.

ATP-sensitive potassium channelopathies: focus on insulin secretion

Ashcroft, F.M.

From molecule to malady

Ashcroft, F.M.

Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant

Atwell, S.; Brouillette, C.G.; Conners, K.; Emtage, S.; Gheyi, T.; Guggino, W.B.; Hendle, J.; Hunt, J.F.; Lewis, H.A.; Lu, F.; Protasevich, I.I.; Rodgers, L.A.; Romero, R.; Wasserman, S.R.; Weber, P.C.; Wetmore, D.; Zhang, F.F.; Zhao, X.

On the interactions between nucleotide binding domains and membrane spanning domains in cystic fibrosis transmembrane regulator: a molecular dynamic study

Belmonte, L.; Moran, O.

QMEAN: a comprehensive scoring function for model quality assessment

Benkert, P.; Tosatto, S.C.E.; Schomburg, D.

Molecular dynamics analysis of the wild type and dF508 mutant structures of the human CFTR–nucleotide binding domain 1

Bisignano, P.; Moran, O.

The impact of human hyperekplexia mutations on glycine receptor structure and function

Bode, A.; Lynch, J.

Physiologic principles underlying ion channelopathies

Cannon, S.C.

GLRB is the third major gene of effect in hyperekplexia

Chung, S.-K.; Bode, A.; Cushion, T.D.; Thomas, R.H.; Hunt, C.; Wood, S.-E.; Pickrell, W.O.; Drew, C.J.G.; Yamashita, S.; Shiang, R.; Leiz, S.; Longhardt, A.-C.; Raile, V.; Weschke, B.; Puri, R.D.; Verma, I.C.; Harvey, R.J.; Ratnasinghe, D.D.; Parker, M.; Rittey, C.; Masri, A.; Lingappa, L.; Howell, O.W.; Vanbellinghen, J.-F.; Mullins, J.G.; Lynch, J.W.; Rees, M.I.

Pathophysiological mechanisms of dominant and recessive GLRA1 mutations in hyperekplexia

Chung, S.-K.; Vanbellinghen, J.-F.; Mullins, J.G.L.; Robinson, A.; Hantke, J.; Hammond, C.L.; Gilbert, D.F.; Freilinger, M.; Ryan, M.; Kruer, M.C.; Masri, A.; Gurses, C.; Ferrie, C.; Harvey, K.; Shiang, R.; Christodoulou, J.; Andermann, F.; Andermann, E.; Thomas, R.H.; Harvey, R.J.; Lynch, J.W.; Rees, M.I.

Novel phenotype associated with a mutation in the KCNA1(Kv1.1) gene

D'Adamo, M.C.; Gallenmüller, C.; Servettini, I.; Hartl, E.; Tucker, S.J.; Arning, L.; Biskup, S.; Grottesi, A.; Guglielmi, L.; Imbrici, P.; Bernasconi, P.; Di Giovanni, G.; Franciolini, F.; Catacuzzeno, L.; Pessia, M.; Klopstock, T.

Structure of the multidrug ABC transporter Sav1866 from Staphylococcus aureus in complex with AMP-PNP

Dawson, R.J.P.; Locher, K.P.

Assessing hERG pore models as templates for drug docking using published experimental constraints: the inactivated state in the context of drug block

Dempsey, C.E.; Wright, D.; Colenso, C.K.; Sessions, R.B.; Hancox, J.C.

Timothy mutation disrupts the link between activation and inactivation in CaV1.2 protein

Depil, K.; Beyl, S.; Stary-Weinzinger, A.; Hohaus, A.; Timin, E.; Hering, S.

The structure of the potassium channel: molecular basis of K+ conduction and selectivity

Doyle, D.A.; Cabral, J.M.; Pfuetzner, R.A.; Kuo, A.; Gulbis, J.M.; Cohen, S.L.; Cahit, B.T.; MacKinnon, R.

Glycine receptor mechanism elucidated by electron cryo-microscopy

Du, J.; Lu, W.; Wu, S.; Cheng, Y.; Gouaux, E.

X-ray structure of a ClC chloride channel at 3.0 Å reveals the molecular basis of anion selectivity

Dutzler, R.; Campbell, E.; Cadene, M.; Chait, B.; MacKinnon, R.

Inherited pain: sodium channel NaV1.7 A1632T mutation causes erythromelalgia due to a shift of fast inactivation

Eberhardt, M.; Nakajima, J.; Klinger, A.B.; Neacsu, C.; Hühne, K.; O'Reilly, A.O.; Kist, A.M.; Lampe, A.K.; Fischer, K.; Gibson, J.; Nau, C.; Winterpacht, A.; Lampert, A.

Thermal unfolding simulations of NBD1 domain variants reveal structural motifs associated with the impaired folding of F508del-CFTR

Estácio, S.G.; Martiniano, H.F.M.C.; Faisca, P.F.N.

Dissecting a regulatory calcium-binding site of CLC-K kidney chloride channels

Gradogna, A.; Fenollar-Ferrer, C.; Forrest, L.R.; Pusch, M.

Characterization of the free-energy landscapes of proteins by NMR-guided metadynamics

Granata, D.; Camilloni, C.; Vendruscolo, M.; Laio, A.

hERG1 channel activators: a new anti-arrhythmic principle

Grunnet, M.; Hansen, R.S.; Olesen, S.-P.

NS1643 Interacts around L529 of hERG to alter voltage sensor movement on the path to activation

Guo, J.; Cheng, Y.M.; Lees-Miller, J.P.; Perissinotti, L.L.; Claydon, T.W.; Hull, C.M.; Thouta, S.; Roach, D.E.; Durdagi, S.; Noskov, S.Y.; Duff, H.J.

Structure driven design of novel human ether-A-Go-Go-related-gene channel (hERG1) activators

Guo, J.; Durdagi, S.; Changalov, M.; Perissinotti, L.L.; Hargreaves, J.M.; Back, T.G.; Noskov, S.Y.; Duff, H.J.

Identification of the PIP2-binding site on Kir6.2 by molecular modelling and functional analysis

Haider, S.; Tarasov, A.I.; Craig, T.J.; Sansom, M.S.P.; Ashcroft, F.M.

Familial gain-of-function NaV1.9 mutation in a painful channelopathy

Han, C.; Yang, Y.; te Morsche, R.H.; Drenth, J.P.H.; Politei, J.M.; Waxman, S.G.; Dib-Hajj, S.D.

Bartter syndrome

Hebert, S.C.

Exome sequencing followed by large-scale genotyping fails to identify single rare variants of large effect in idiopathic generalized epilepsy

Heinzen, E.L.; Depondt, C.; Cavalleri, G.L.; Ruzzo, E.K.; Walley, N.M.; Need, A.C.; Ge, D.; He, M.; Cirulli, E.T.; Zhao, Q.; Cronin, K.D.; Gumbs, C.E.; Campbell, C.R.; Hong, L.K.; Maia, J.M.; Shianna, K.V.; McCormack, M.; Radtke, R.A.; O'Conner, G.D.; Mikati, M.A.; Gallentine, W.B.; Husain, A.M.; Sinha, S.R.; Chinthapalli, K.; Puranam, R.S.; McNamara, J.O.; Ottman, R.; Sisodiya, S.M.; Delanty, N.; Goldstein, D.B.

A CACNA1F mutation identified in an X-linked retinal disorder shifts the voltage dependence of Cav1.4 channel activation

Hemara-Wahanui, A.; Berjukow, S.; Hope, C.I.; Dearden, P.K.; Wu, S.-B.; Wilson-Wheeler, J.; Sharp, D.M.; Lundon-Treweek, P.; Clover, G.M.; Hoda, J.-C.; Striessnig, J.; Marksteiner, R.; Hering, S.; Maw, M.A.

Structural determinants of L-type channel activation in segment IIS6 revealed by a retinal disorder

Hohaus, A.; Beyl, S.; Kudrnac, M.; Berjukow, S.; Timin, E.N.; Marksteiner, R.; Maw, M.A.; Hering, S.

Crystal structure of human glycine receptor alpha3 bound to antagonist strychnine

Huang, X.; Chen, H.; Michelsen, K.; Schneider, S.; Shaffer, P.L.

Crystal structures of human glycine receptor α3 bound to a novel class of analgesic potentiators

Huang, X.; Shaffer, P.L.; Ayube, S.; Bregman, H.; Chen, H.; Lehto, S.G.; Luther, J.A.; Matson, D.J.; McDonough, S.I.; Michelsen, K.; Plant, M.H.; Schneider, S.; Simard, J.R.; Teffera, Y.; Yi, S.; Zhang, M.; DiMauro, E.F.; Gingras, J.

Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies

Imbrici, P.; Altamura, C.; Camerino, G.M.; Mangiatordi, G.F.; Conte, E.; Maggi, L.; Brugnoni, R.; Musaraj, K.; Caloiero, R.; Alberga, D.; Marsano, R.M.; Ricci, G.; Siciliano, G.; Nicolotti, O.; Mora, M.; Bernasconi, P.; Desaphy, J.-F.; Mantegazza, R.; Camerino, D.C.

Therapeutic approaches to genetic ion channelopathies and perspectives in drug discovery

Imbrici, P.; Liantonio, A.; Camerino, G.M.; De Bellis, M.; Camerino, C.; Mele, A.; Giustino, A.; Pierno, S.; De Luca, A.; Tricarico, D.; Desaphy, J.-F.; Conte, D.

ClC-1 mutations in myotonia congenita patients: insights into molecular gating mechanisms and genotype–phenotype correlation

Imbrici, P.; Maggi, L.; Mangiatordi, G.F.; Dinardo, M.M.; Altamura, C.; Brugnoni, R.; Alberga, D.; Pinter, G.L.; Ricci, G.; Siciliano, G.; Micheli, R.; Annicchiarico, G.; Lattanzi, G.; Nicolotti, O.; Morandi, L.; Bernasconi, P.; Desaphy, J.F.; Mantegazza, R.; Camerino, D.C.

Novel missense mutations in the glycine receptor β subunit gene (GLRB) in startle disease

James, V.M.; Bode, A.; Chung, S.-K.; Gill, J.L.; Nielsen, M.; Cowan, F.M.; Vujic, M.; Thomas, R.H.; Rees, M.I.; Harvey, K.; Keramidas, A.; Topf, M.; Ginjaar, I.; Lynch, J.W.; Harvey, R.J.

Pro-arrhythmogenic effects of the S140G KCNQ1 mutation in human atrial fibrillation – insights from modelling

Kharche, S.; Adeniran, I.; Stott, J.; Law, P.; Boyett, M.R.; Hancox, J.C.; Zhang, H.

SAXS-Guided metadynamics

Kimanius, D.; Pettersson, I.; Schluckebier, G.; Lindahl, E.; Andersson, M.

Exome sequencing of ion channel genes reveals complex profiles confounding personal risk assessment in epilepsy

Klassen, T.; Davis, C.; Goldman, A.; Burgess, D.; Chen, T.; Wheeler, D.; McPherson, J.; Bourquin, T.; Lewis, L.; Villasana, D.; Morgan, M.; Muzny, D.; Gibbs, R.; Noebels, J.

A gain-of-function mutation in TRPA1 causes familial episodic pain syndrome

Kremeyer, B.; Lopera, F.; Cox, J.J.; Momin, A.; Rugiero, F.; Marsh, S.; Woods, C.G.; Jones, N.G.; Paterson, K.J.; Fricker, F.R.; Villegas, A.; Acosta, N.; Pineda-Trujillo, N.G.; Ramírez, J.D.; Zea, J.; Burley, M.-W.; Bedoya, G.; Bennett, D.L.H.; Wood, J.N.; Ruiz-Linares, A.

Coupled and independent contributions of residues in IS6 and IIS6 to activation gating of CaV1.2

Kudrnac, M.; Beyl, S.; Hohaus, A.; Stary, A.; Peterbauer, T.; Timin, E.; Hering, S.

A pore-blocking hydrophobic motif at the cytoplasmic aperture of the closed-state NaV1.7 channel is disrupted by the erythromelalgia-associated F1449V mutation

Lampert, A.; O'Reilly, A.O.; Dib-Hajj, S.D.; Tyrrell, L.; Wallace, B.A.; Waxman, S.G.

Sodium channelopathies and pain

Lampert, A.; O'Reilly, A.O.; Reeh, P.; Leffler, A.

Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator

Lewis, H.A.; Buchanan, S.G.; Burley, S.K.; Conners, K.; Dickey, M.; Dorwart, M.; Fowler, R.; Gao, X.; Guggino, W.B.; Hendrickson, W.A.; Hunt, J.F.; Kearins, M.C.; Lorimer, D.; Maloney, P.C.; Post, K.W.; Rajashankar, K.R.; Rutter, M.E.; Sauder, J.M.; Shriver, S.; Thibodeau, P.H.; Thomas, P.J.; Zhang, M.; Zhao, X.; Emtage, S.

Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry

Lewis, H.A.; Wang, C.; Zhao, X.; Hamuro, Y.; Conners, K.; Kearins, M.C.; Lu, F.; Sauder, J.M.; Molnar, K.S.; Coales, S.J.; Maloney, P.C.; Guggino, W.B.; Wetmore, D.R.; Weber, P.C.; Hunt, J.F.

Impact of the ΔF508 mutation in first nucleotide-binding domain of human cystic fibrosis transmembrane conductance regulator on domain folding and structure

Lewis, H.A.; Zhao, X.; Wang, C.; Sauder, J.M.; Rooney, I.; Noland, B.W.; Lorimer, D.; Kearins, M.C.; Conners, K.; Condon, B.; Maloney, P.C.; Guggino, W.B.; Hunt, J.F.; Emtage, S.

Structure of a eukaryotic cyclic-nucleotide-gated channel

Li, M.; Zhou, X.; Wang, S.; Michailidis, I.; Gong, Y.; Su, D.; Li, H.; Li, X.; Yang, J.

Structure of a pancreatic ATP-sensitive potassium channel

Li, N.; Wu, J.-X.; Ding, D.; Cheng, J.; Gao, N.; Chen, L.

Molecular switch for CLC-K Cl− channel block/activation: optimal pharmacophoric requirements towards high-affinity ligands

Liantonio, A.; Picollo, A.; Carbonara, G.; Fracchiolla, G.; Tortorella, P.; Loiodice, F.; Laghezza, A.; Babini, E.; Zifarelli, G.; Pusch, M.; Camerino, D.C.

Mechanism of chloride permeation in the cystic fibrosis transmembrane conductance regulator chloride channel

Linsdell, P.

OPM: Orientations of protetins in membranes database

Lomize, M.A.; Lomize, A.L.; Pogozheva, I.D.; Mosberg, H.I.

Crystal structure of a mammalian voltage-dependent Shaker family K+ channel

Long, S.B.; Campbell, E.; MacKinnon, R.

Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment

Long, S.B.; Tao, X.; Campbell, E.B.; MacKinnon, R.

CFTR: folding, misfolding and correcting the ΔF508 conformational defect

Lukacs, G.L.; Verkman, A.S.

Propofol modulation of α1 glycine receptors does not require a structural transition at adjacent subunits that is crucial to agonist-induced activation

Lynagh, T.; Kunz, A.; Laube, B.

A conserved tryptophan at the membrane–water interface acts as a gatekeeper for Kir6.2/SUR1 channels and causes neonatal diabetes when mutated

Männikkö, R.; Stansfeld, P.J.; Ashcroft, A.S.; Hattersley, A.T.; Sansom, M.S.P.; Ellard, S.; Ashcroft, F.M.

The hidden hand of chloride in hypertension

McCallum, L.; Lip, S.; Padmanabhan, S.

Genotype–phenotype correlations in neonatal epilepsies caused by mutations in the voltage sensor of KV7.2 potassium channel subunits

Miceli, F.; Soldovieri, M.V.; Ambrosino, P.; Barrese, V.; Migliore, M.; Cilio, M.R.; Taglialatela, M.

Crystal structure of a human GABAA receptor

Miller, P.S.; Aricescu, A.R.

X-ray structure of the human α4β2 nicotinic receptor

Morales-Perez, C.L.; Noviello, C.M.; Hibbs, R.E.

Parametrisation of the free energy of ATP binding to wild-type and mutant Kir6.2 potassium channels

Moran, O.; Grottesi, A.; Chadburn, A.J.; Tammaro, P.

Gating pore currents are defects in common with two NaV1.5 mutations in patients with mixed arrhythmias and dilated cardiomyopathy

Moreau, A.; Gosselin-Badaroudine, P.; Delemotte, L.; Klein, M.L.; Chahine, M.

Full-open and closed CFTR channels, with lateral tunnels from the cytoplasm and an alternative position of the F508 region, as revealed by molecular dynamics

Mornon, J.-P.; Hoffmann, B.; Jonic, S.; Lehn, P.; Callebaut, I.

Molecular models of the open and closed states of the whole human CFTR protein

Mornon, J.-P.; Lehn, P.; Callebaut, I.

Atomic model of human cystic fibrosis transmembrane conductance regulator: membrane-spanning domains and coupling interfaces

Mornon, J.P.; Lehn, P.; Callebaut, I.

ATP hydrolysis-driven gating in cystic fibrosis transmembrane conductance regulator

Muallem, D.; Vergani, P.

Sodium channel β subunits: emerging targets in channelopathies

O'Malley, H.A.; Isom, L.L.

Structure of a CLC chloride ion channel by cryo-electron microscopy

Park, E.; Campbell, E.B.; MacKinnon, R.

The crystal structure of a voltage-gated sodium channel

Payandeh, J.; Scheuer, T.; Zheng, N.; Catterall, W.A.

Computational modeling of cardiac K+ channels and channelopathies

Perez, L.R.; Noskov, S.Y.; Clancy, Colleen E.

Kinetic model for NS1643 drug activation of WT and L529I variants of KV11.1 (hERG1) potassium channel

Perissinotti, L.L.; Guo, J.; De Biase, P.M.; Clancy, C.E.; Duff, H.J.; Noskov, S.Y.

Classification and rescue of ROMK mutations underlying hyperprostaglandin E syndrome/antenatal Bartter syndrome

Peters, M.; Ermert, S.; Jeck, N.; Derst, C.; Pechmann, U.; Weber, S.; Schlingmann, K.P.; Seyberth, H.W.; Waldegger, S.; Konrad, M.

Rational coupled dynamics network manipulation rescues disease-relevant mutant cystic fibrosis transmembrane conductance regulator

Proctor, E.A.; Kota, P.; Aleksandrov, A.A.; He, L.; Riordan, J.R.; Dokholyan, N.V.

Structural and functional analysis of the putative pH sensor in the Kir1.1 (ROMK) potassium channel

Rapedius, M.; Haider, S.; Browne, K.F.; Shang, L.; Sansom, M.S.P.; Baukrowitz, T.; Tucker, S.J.

KATP channel Kir6.2 E23K variant overrepresented in human heart failure is associated with impaired exercise stress response

Reyes, S.; Park, S.; Johnson, B.D.; Terzic, A.; Olson, T.M.

The startle disease mutation E103K impairs activation of human homomeric α1 glycine receptors by disrupting an intersubunit salt bridge across the agonist binding site

Safar, F.; Hurdiss, E.; Erotocritou, M.; Greiner, T.; Lape, R.; Irvine, M.W.; Fang, G.; Jane, D.; Yu, R.; Dämgen, M.A.; Biggin, P.C.; Sivilotti, L.G.

hERG potassium channels and cardiac arrhythmia

Sanguinetti, M.C.; Tristani-Firouzi, M.

Identification of specific pore residues mediating KCNQ1-inactivation: a novel mechanism for long QT syndrome?

Seebohm, G.; Scherer, C.R.; Busch, A.E.; Lerche, C.

Phenylalanine-508 mediates a cytoplasmic–membrane domain contact in the CFTR 3D structure crucial to assembly and channel function

Serohijos, A.W.R.; Hegedűs, T.; Aleksandrov, A.A.; He, L.; Cui, L.; Dokholyan, N.V.; Riordan, J.R.

Diminished self-chaperoning activity of the ΔF508 mutant of CFTR results in protein misfolding

Serohijos, A.W.R.; Hegedűs, T.; Riordan, J.R.; Dokholyan, N.V.

Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps

Singharoy, A.; Teo, I.; McGreevy, R.; Stone, J.E.; Zhao, J.; Schulten, K.

Structural models for the KCNQ1 voltage-gated potassium channel

Smith, J.A.; Vanoye, C.G.; George, A.L.; Meiler, J.; Sanders, C.R.

X-ray structure, symmetry and mechanism of an AMPA-subtype glutamate receptor

Sobolevsky, A.I.; Rosconi, M.P.; Gouaux, E.

CaV1.2 Calcium channel dysfunction causes a multisystem disorder including arrhythmia and autism

Splawski, I.; Timothy, K.W.; Sharpe, L.M.; Decher, N.; Kumar, P.; Bloise, R.; Napolitano, C.; Schwartz, P.J.; Joseph, R.M.; Condouris, K.; Tager-Flusberg, H.; Priori, S.G.; Sanguinetti, M.C.; Keating, M.T.

Molecular dynamics and mutational analysis of a channelopathy mutation in the IIS6 helix of CaV1.2

Stary, A.; Kudrnac, M.; Beyl, S.; Hohaus, A.; Timin, E.; Wolschann, P.; Guy, H.R.; Hering, S.

Toward a consensus model of the hERG potassium channel

Stary, A.; Wacker, S.J.; Boukharta, L.; Zachariae, U.; Karimi-Nejad, Y.; Åqvist, J.; Vriend, G.; de Groot, B.L.

Structural basis of slow activation gating in the cardiac IKs channel complex

Strutz-Seebohm, N.; Pusch, M.; Wolf, S.; Stoll, R.; Tapken, D.; Gerwert, K.; Attali, B.; Seebohm, G.

Structural refinement of the hERG1 pore and voltage-sensing domains with ROSETTA-membrane and molecular dynamics simulations

Subbotina, J.; Yarov-Yarovoy, V.; Lees-Miller, J.; Durdagi, S.; Guo, J.; Duff, H.J.; Noskov, S.Y.

Implications of the quaternary twist allosteric model for the physiology and pathology of nicotinic acetylcholine receptors

Taly, A.; Corringer, P.-J.; Prado de Carvalho, L.; Karplus, M.; Changeux, J.-P.

A cyclic nucleotide-gated channel mutation associated with canine daylight blindness provides insight into a role for the S2 segment Tri-Asp motif in channel biogenesis

Tanaka, N.; Delemotte, L.; Klein, M.L.; Komáromy, A.M.; Tanaka, J.C.

Side chain and backbone contributions of Phe508 to CFTR folding

Thibodeau, P.H.; Brautigam, C.A.; Machius, M.; Thomas, P.J.

Flexibility in the ABC transporter MsbA: alternating access with a twist

Ward, A.; Reyes, C.L.; Yu, J.; Roth, C.B.; Chang, G.

Modelling the restoration of wild-type dynamic behaviour in ΔF508-CFTR NBD1 by 8-cyclopentyl-1,3-dipropylxanthine

Warner, D.J.; Vadolia, M.M.; Laughton, C.A.; Kerr, I.D.; Doughty, S.W.

Salt sensitivity of blood pressure in humans

Weinberger, M.H.

Structure of the voltage-gated K+ channel Eag1 reveals an alternative voltage sensing mechanism

Whicher, J.R.; MacKinnon, R.

ΔF508 mutation increases conformational flexibility of CFTR protein

Wieczorek, G.; Zielenkiewicz, P.

Structure of the voltage-gated calcium channel Cav1.1 complex

Wu, J.; Yan, Z.; Li, Z.; Yan, C.; Lu, S.; Dong, M.; Yan, N.

Structural modelling and mutant cycle analysis predict pharmacoresponsiveness of a NaV1.7 mutant channel

Yang, Y.; Dib-Hajj, S.D.; Zhang, J.; Zhang, Y.; Tyrrell, L.; Estacion, M.; Waxman, S.G.

Multistate structural modeling and voltage-clamp analysis of epilepsy/autism mutation KV10.2–R327H demonstrate the role of this residue in stabilizing the channel closed state

Yang, Y.; Vasylyev, D.V.; Dib-Hajj, F.; Veeramah, K.R.; Hammer, M.F.; Dib-Hajj, S.D.; Waxman, S.G.

Agonist and antagonist binding in human glycine receptors

Yu, R.; Hurdiss, E.; Greiner, T.; Lape, R.; Sivilotti, L.; Biggin, P.C.

Ionotropic GABA and glutamate receptor mutations and human neurologic diseases

Yuan, H.; Low, C.-M.; Moody, O.A.; Jenkins, A.; Traynelis, S.F.

Atomic structure of the cystic fibrosis transmembrane conductance regulator

Zhang, Z.; Chen, J.

REMD simulations reveal the dynamic profile and mechanism of action of deleterious, rescuing, and stabilizing perturbations to NBD1 from CFTR

Zhenin, M.; Noy, E.; Senderowitz, H.

Structural modeling and patch-clamp analysis of pain-related mutation TRPA1-N855S reveal inter-subunit salt bridges stabilizing the channel open state

Zíma, V.; Witschas, K.; Hynkova, A.; Zímová, L.; Barvík, I.; Vlachova, V.

Insights into channel dysfunction from modelling and molecular dynamics simulations

Insights into channel dysfunction from modelling and molecular dynamics simulations

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Insights into channel dysfunction from modelling and molecular dynamics simulations

Insights into channel dysfunction from modelling and molecular dynamics simulations

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