Bibliography
- Cox JJ , ReimannF, NicholasAKet al. An SCN9A channelopathy causes congenital inability to experience pain. Nature 444, 894–898 (2006).
- Clare JJ . Targeting voltage-gated sodium channels for pain therapy.Expert Opin. Investig. Drugs19, 45–62 (2010).
- Doyle DA , Morais Cabral J. Pfuetzner RA et al. The structure of the potassium channel: molecular basis of K+ conduction and selectivity. Science280, 69–77 (1998).
- Roux B . Theoretical and computational models of ion channels.Curr. Opin. Struct. Biol.12, 182–189 (2002).
- Jakobsson E , MashlRJ, Tseng T-T. Investigating ion channels using computational methods. Curr. Topics Membr.52, 255–273 (2002).
- Zhou Y , Morais-CabralJH, KaufmanA, MackinnonR. Chemistry of ion coordination and hydration revealed by a K+ channel–Fab complex at 2.0Å resolution. Nature414, 43–48 (2001).
- Zhou M , Morais-CabralJH, MannS, MackinnonR. Potassium channel receptor site for the inactivation gate and quaternary amine inhibitors.Nature411, 657–661 (2001).
- Jiang Y , LeeA, ChenJet al. X-ray structure of a voltage-dependent K+ channel. Nature 423, 33–41 (2003).
- Long SB , TaoX, CampbellEB, MacKinnonR. Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment.Nat. Rev. Drug Discov..450, 376–382 (2007).
- Kuo A , DomeneC, JohnsonLN, DoyleDA, Vénien-BryanC. Two different conformational states of the KirBac3.1 potassium channel revealed by electron crystallography.Structure13, 1463–1472 (2005).
- Jiang Y , LeeA, ChenJ, CadeneM, ChaltBT, MacKinnonR. Crystal structure and mechanism of a calcium-gated potassium channel.Nature417, 515–522 (2002).
- Alam A , ShiN, JiangY. Structural insights into Ca2+ specificity in tetrameric cation channels. Proceed. Natl Soc. Sci. USA104, 15334–15339 (2007).
- Sobolevsky AI , RosconiMP, GouauxE. X-ray structure, symmetry and mechanism of an AMPA-subtype glutamate receptor.Nature462, 745–758 (2009).
- Fujiwara Y , MinorDL Jr. X-ray Crystal structure of a TRPM assembly domain reveals an antiparallel four-stranded coiled-coil. J. Mol. Biol.383, 854–870 (2008).
- Jasti J , FurukawaH, GonzalezEB, GouauxE. Structure of acid-sensing ion channel 1 at 1.9Å resolution and low pH.Nature449, 316–324 (2007).
- Kawate T , Carlisle Michel J, Birdsong WT, Gouaux E. Crystal structure of the ATP-gated P2X4 ion channel in the closed state. Nature460, 592–598 (2009).
- Hilf RJC , DutzlerR. X-ray structure of a prokaryotic pentameric ligand-gated ion channel.Nature452, 375–379 (2008).
- Bocquet N , NuryH, BeaadenMet al. X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation. Nature 457, 111–114 (2008).
- Miyazawa A , FujiyoshiY, UnwinN. Structure and gating mechanism of the acetylcholine receptor pore.Nature423, 949–955 (2003).
- Chothia C , LeskAM. The relation between the divergence of sequence and structure in proteins.EMBO J.5, 823–826 (1986).
- Durell SR , GuyHR. Atomic scale structure and functional models of voltage-gated potassium channels.Biophys. J.62, 238–250 (1992).
- Lange W , GiebendörferJ, SchenzerAet al. Refinement of the binding site and mode of action of the anticonvulsant retigabine on KCNQ K+ channels. Mol. Pharmacol. 75, 272–280 (2009).
- Bell IM , BilodeauMT. The impact of IKr blockade on medicinal chemistry programs. Curr. Topics Med. Chem.8, 1128–1139 (2008).
- Yang Q , DuL, WangX, LiM, YouQ. Modeling the binding modes of Kv1.5 potassium channel and blockers. J. Mol. Graph. Model.27, 178–187 (2008).
- Duclohier H . Structure–function studies on the voltage-gated sodium channel.Biochim. Biophys. Acta.1788, 2374–2379 (2009).
- Browne LE , BlaneyFE, YusafSP, ClareJJ, WrayD. Structural determinants of drugs acting on the Nav1.8 channel. J. Biol. Chem.284, 10523–10536 (2009).
- Pedretti A , MarconiC, BettinelliI, VistoliG. Comparative modeling of the quarternary structure for the human TRPM8 channel and analysis of its binding feature.Biochim. Biophys. Acta.1788, 973–982 (2009).
- Fernández-Ballester G , Ferrer-MontielA. Molecular modeling of the full-length human TRPV1 channel in closed and desensitized states.J.Membrane Biol.223, 161–172 (2008).
- Sandoz G , DouguetD, ChatelainF, LazdunskiM, LesageF. Extracellular acidification exerts opposite actions on TREK1 and TREK2 potassium channels via a single conserved histidine residue.Proceed. Natl Soc. Sci. USA106, 14628–14633 (2009).
- Kollewe A , LauAY, SullivanA, RouxB, GoldsteinAAN. A structural model for K2P potassium channels based on 23 pairs of interacting sites and continuum electrostatics. J. Gen. Physiol.134, 53–68 (2009).
- Pietra F . Docking and MD simulations of the interaction of the tarantula peptide psalmotoxin-1 with ASIC1a channels using a homology model.J. Chem. Inf. Model.49, 972–977 (2009).
- Qadri YJ , BerdievBK, SongY, LipptonHL, FullerCM, BenosDJ. Psalmotoxin-1 docking to human acid-sensing ion channel-1.J. Biol. Chem.284, 17625–17633 (2009).
- Lummis SCR , BeeneDL, LeeLW, LesterHA, BroadhurstRW, DoughertyDA. Cis–trans isomerization at a proline opens the pore of a neurotransmitter-gated ion channel. Nature438, 248–252 (2005).
- Liu H , Gao A-B, Yao Z et al. Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjucntion with electrophysological assay. J. Med. Chem.50, 83–93 (2007).
- Rowland P , BlaneyFE, SmythMGet al. Crystal structure of human cytochrome P450 2D6. J. Biol. Chem. 281, 7614–7622 (2006).
- de Groot MJ , AcklandMJ, HorneVA, AlexAA, JonesBC. Novel approach to predicting P450 mediated drug metabolism. The development of a combined protein and pharmacophore model for CYP2D6.J. Med. Chem.42, 1515–1524 (1999).
- Lewis DFV . Homology modelling of human CYP2 family enzymes based on the CYP2C5 crystal structure.Xenobiotica32, 305–323 (2002).
- Cramer RD , PattersonDE, BunceJD. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.J. Am. Chem. Soc.110, 5959–5967 (1988).