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Volumn 8, Issue 6, 2013, Pages

Ligand Induced Conformational Changes of the Human Serotonin Transporter Revealed by Molecular Dynamics Simulations

Author keywords

[No Author keywords available]

Indexed keywords

COCAINE; GLUTAMIC ACID; GLYCINE; NORIBOGAINE; SEROTONIN; SEROTONIN TRANSPORTER;

EID: 84878940205     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0063635     Document Type: Article
Times cited : (47)

References (75)
  • 1
    • 0018565377 scopus 로고
    • Coupling between platelet 5-hydroxytrypthamine and potassium transport
    • Nelson PJ, Rudnick G, (1979) Coupling between platelet 5-hydroxytrypthamine and potassium transport. J Biol Chem 254: 10084-10089.
    • (1979) J Biol Chem , vol.254 , pp. 10084-10089
    • Nelson, P.J.1    Rudnick, G.2
  • 2
    • 0014029736 scopus 로고
    • Simple allosteric model for membrane pumps
    • Jardetzky O, (1966) Simple allosteric model for membrane pumps. Nature 211: 969-970.
    • (1966) Nature , vol.211 , pp. 969-970
    • Jardetzky, O.1
  • 4
    • 0027364736 scopus 로고
    • From synapse to vesicle: The reuptake and storage of biogenic amine neurotransmitters
    • Rudnick G, Clark J, (1993) From synapse to vesicle: The reuptake and storage of biogenic amine neurotransmitters. Biochim Biophys Acta 1144: 249-263.
    • (1993) Biochim Biophys Acta , vol.1144 , pp. 249-263
    • Rudnick, G.1    Clark, J.2
  • 5
    • 24644470065 scopus 로고    scopus 로고
    • Crystal structure of a bacterial homologue of Na+/Cl--dependent neurotransmitter transporters
    • Yamashita A, Singh SK, Kawate T, Jin Y, Gouaux E, (2005) Crystal structure of a bacterial homologue of Na+/Cl--dependent neurotransmitter transporters. Nature 437: 215-223.
    • (2005) Nature , vol.437 , pp. 215-223
    • Yamashita, A.1    Singh, S.K.2    Kawate, T.3    Jin, Y.4    Gouaux, E.5
  • 6
    • 33751194447 scopus 로고    scopus 로고
    • A comprehensive structure-based alignment of prokaryotic and eukaryotic Neurotransmitter/Na+ Symporters (NSS) aids in the use of the LeuT structure to probe NSS structure and function
    • Beuming T, Shi L, Javitch JA, Weinstein H, (2006) A comprehensive structure-based alignment of prokaryotic and eukaryotic Neurotransmitter/Na+ Symporters (NSS) aids in the use of the LeuT structure to probe NSS structure and function. Mol Pharmacol 70: 1630-1642.
    • (2006) Mol Pharmacol , vol.70 , pp. 1630-1642
    • Beuming, T.1    Shi, L.2    Javitch, J.A.3    Weinstein, H.4
  • 7
    • 80055067598 scopus 로고    scopus 로고
    • Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na+ Ion release
    • doi10.1371/journal.pcbi.1002246
    • Koldsø H, Noer P, Grouleff J, Autzen HE, Sinning S, et al. (2011) Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na+ Ion release. PLoS Comput Biol 7(10): e1002246 doi:10.1371/journal.pcbi.1002246.
    • (2011) PLoS Comput Biol , vol.7 , Issue.10
    • Koldsø, H.1    Noer, P.2    Grouleff, J.3    Autzen, H.E.4    Sinning, S.5
  • 8
    • 84874023984 scopus 로고    scopus 로고
    • Comparative modelling of the human monoamine transporters - similarities in substrate binding
    • Koldsø H, Christiansen AB, Sinning S, Schiøtt B, (2013) Comparative modelling of the human monoamine transporters - similarities in substrate binding. ACS Chem Neurosci 4: 295-309.
    • (2013) ACS Chem Neurosci , vol.4 , pp. 295-309
    • Koldsø, H.1    Christiansen, A.B.2    Sinning, S.3    Schiøtt, B.4
  • 9
    • 75749102552 scopus 로고    scopus 로고
    • The two enantiomers of citalopram bind to the human serotonin transporter in reversed orientations
    • Koldsø H, Severinsen K, Tran TT, Celik L, Jensen HH, et al. (2010) The two enantiomers of citalopram bind to the human serotonin transporter in reversed orientations. J Am Chem Soc 132: 1311-1322.
    • (2010) J Am Chem Soc , vol.132 , pp. 1311-1322
    • Koldsø, H.1    Severinsen, K.2    Tran, T.T.3    Celik, L.4    Jensen, H.H.5
  • 10
    • 77950887681 scopus 로고    scopus 로고
    • Binding and orientation of tricyclic antidepressants within the central substrate site of the human serotonin transporter
    • Sinning S, Musgaard M, Jensen M, Severinsen K, Celik L, et al. (2010) Binding and orientation of tricyclic antidepressants within the central substrate site of the human serotonin transporter. J Biol Chem 285: 8363-8374.
    • (2010) J Biol Chem , vol.285 , pp. 8363-8374
    • Sinning, S.1    Musgaard, M.2    Jensen, M.3    Severinsen, K.4    Celik, L.5
  • 12
    • 41149175461 scopus 로고    scopus 로고
    • Binding of serotonin to the human serotonin transporter. Molecular modeling and experimental validation
    • Celik L, Sinning S, Severinsen K, Hansen C, Møller M, et al. (2008) Binding of serotonin to the human serotonin transporter. Molecular modeling and experimental validation. J Am Chem Soc 130: 3853-3865.
    • (2008) J Am Chem Soc , vol.130 , pp. 3853-3865
    • Celik, L.1    Sinning, S.2    Severinsen, K.3    Hansen, C.4    Møller, M.5
  • 13
    • 46049086729 scopus 로고    scopus 로고
    • The binding sites for cocaine and dopamine in the dopamine transporter overlap
    • Beuming T, Kniazeff J, Bergmann ML, Shi L, Gracia L, et al. (2008) The binding sites for cocaine and dopamine in the dopamine transporter overlap. Nat Neurosci 11: 780-789.
    • (2008) Nat Neurosci , vol.11 , pp. 780-789
    • Beuming, T.1    Kniazeff, J.2    Bergmann, M.L.3    Shi, L.4    Gracia, L.5
  • 14
    • 65649109333 scopus 로고    scopus 로고
    • Location of the antidepressant binding site in the serotonin transporter: Importance of Ser-438 in the recognition of citalopram and tricyclic antidepressants
    • Andersen J, Taboureau O, Hansen KB, Olsen L, Egebjerg J, et al. (2009) Location of the antidepressant binding site in the serotonin transporter: Importance of Ser-438 in the recognition of citalopram and tricyclic antidepressants. J Biol Chem 284: 10276-10284.
    • (2009) J Biol Chem , vol.284 , pp. 10276-10284
    • Andersen, J.1    Taboureau, O.2    Hansen, K.B.3    Olsen, L.4    Egebjerg, J.5
  • 15
    • 76249105122 scopus 로고    scopus 로고
    • Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter
    • Andersen J, Olsen L, Hansen KB, Taboureau O, Jørgensen FS, et al. (2010) Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter. J Biol Chem 285: 2051-2063.
    • (2010) J Biol Chem , vol.285 , pp. 2051-2063
    • Andersen, J.1    Olsen, L.2    Hansen, K.B.3    Taboureau, O.4    Jørgensen, F.S.5
  • 16
    • 38549139110 scopus 로고    scopus 로고
    • Dopamine transporter comparative molecular modeling and binding site prediction using the LeuTAa leucine transporter as a template
    • Indarte M, Madura J, Surratt C, (2008) Dopamine transporter comparative molecular modeling and binding site prediction using the LeuTAa leucine transporter as a template. Proteins 70: 1033-1046.
    • (2008) Proteins , vol.70 , pp. 1033-1046
    • Indarte, M.1    Madura, J.2    Surratt, C.3
  • 17
    • 37749008084 scopus 로고    scopus 로고
    • Molecular dynamics simulations of Na+/Cl--dependent neurotransmitter transporters in a membrane-aqueous system
    • Jørgensen AM, Tagmose L, Jørgensen AMM, Bøgesø KP, Peters GH, (2007) Molecular dynamics simulations of Na+/Cl--dependent neurotransmitter transporters in a membrane-aqueous system. ChemMedChem 2: 827-840.
    • (2007) ChemMedChem , vol.2 , pp. 827-840
    • Jørgensen, A.M.1    Tagmose, L.2    Jørgensen, A.M.M.3    Bøgesø, K.P.4    Peters, G.H.5
  • 18
    • 41149147416 scopus 로고    scopus 로고
    • Homology modeling of the serotonin transporter: Insights into the primary escitalopram-binding site
    • Jørgensen AM, Tagmose L, Jørgensen AMM, Topiol S, Sabio M, et al. (2007) Homology modeling of the serotonin transporter: Insights into the primary escitalopram-binding site. ChemMedChem 2: 815-826.
    • (2007) ChemMedChem , vol.2 , pp. 815-826
    • Jørgensen, A.M.1    Tagmose, L.2    Jørgensen, A.M.M.3    Topiol, S.4    Sabio, M.5
  • 19
    • 65249169367 scopus 로고    scopus 로고
    • Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
    • Quick M, Winther AL, Shi L, Nissen P, Weinstein H, et al. (2009) Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation. Proc Natl Acad Sci U S A 106: 5563-5568.
    • (2009) Proc Natl Acad Sci U S A , vol.106 , pp. 5563-5568
    • Quick, M.1    Winther, A.L.2    Shi, L.3    Nissen, P.4    Weinstein, H.5
  • 20
    • 67349282342 scopus 로고    scopus 로고
    • Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures
    • Zhou Z, Zhen J, Karpowich NK, Law CJ, Reith MEA, et al. (2009) Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures. Nat Struct Mol Biol 16: 652-658.
    • (2009) Nat Struct Mol Biol , vol.16 , pp. 652-658
    • Zhou, Z.1    Zhen, J.2    Karpowich, N.K.3    Law, C.J.4    Reith, M.E.A.5
  • 21
    • 34548684744 scopus 로고    scopus 로고
    • LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake
    • Zhou Z, Zhen J, Karpowich NK, Goetz RM, Law CJ, et al. (2007) LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake. Science 317: 1390-1393.
    • (2007) Science , vol.317 , pp. 1390-1393
    • Zhou, Z.1    Zhen, J.2    Karpowich, N.K.3    Goetz, R.M.4    Law, C.J.5
  • 22
    • 58149233796 scopus 로고    scopus 로고
    • A competitive inhibitor traps LeuT in an open-to-out conformation
    • Singh SK, Piscitelli CL, Yamashita A, Gouaux E, (2008) A competitive inhibitor traps LeuT in an open-to-out conformation. Science 322: 1655-1661.
    • (2008) Science , vol.322 , pp. 1655-1661
    • Singh, S.K.1    Piscitelli, C.L.2    Yamashita, A.3    Gouaux, E.4
  • 23
    • 34548178234 scopus 로고    scopus 로고
    • Antidepressant binding site in a bacterial homologue of neurotransmitter transporters
    • Singh SK, Yamashita A, Gouaux E, (2007) Antidepressant binding site in a bacterial homologue of neurotransmitter transporters. Nature 448: 952-956.
    • (2007) Nature , vol.448 , pp. 952-956
    • Singh, S.K.1    Yamashita, A.2    Gouaux, E.3
  • 24
    • 78649504797 scopus 로고    scopus 로고
    • Structural origins of nitroxide side chain dynamics on membrane protein α-helical sites
    • Kroncke BM, Horanyi PS, Columbus L, (2010) Structural origins of nitroxide side chain dynamics on membrane protein α-helical sites. Biochemistry 49: 10045-10060.
    • (2010) Biochemistry , vol.49 , pp. 10045-10060
    • Kroncke, B.M.1    Horanyi, P.S.2    Columbus, L.3
  • 25
    • 84856225222 scopus 로고    scopus 로고
    • X-ray structures of LeuT in substrate-free outward-open and apo inward-open states
    • Krishnamurthy H, Gouaux E, (2012) X-ray structures of LeuT in substrate-free outward-open and apo inward-open states. Nature 481: 469-474.
    • (2012) Nature , vol.481 , pp. 469-474
    • Krishnamurthy, H.1    Gouaux, E.2
  • 27
    • 33645120326 scopus 로고    scopus 로고
    • Emerging pharmacological strategies in the fight against cocaine addiction
    • Sofuoglu M, Kosten TR, (2006) Emerging pharmacological strategies in the fight against cocaine addiction. Expert Opin Emerging Drugs 11: 91-98.
    • (2006) Expert Opin Emerging Drugs , vol.11 , pp. 91-98
    • Sofuoglu, M.1    Kosten, T.R.2
  • 28
    • 0023265754 scopus 로고
    • Cocaine receptors on dopamine transporters are related to self-administration of cocaine
    • Ritz MC, Lamb RJ, Goldberg SR, Kuhar MJ, (1987) Cocaine receptors on dopamine transporters are related to self-administration of cocaine. Science 237: 1219-1223.
    • (1987) Science , vol.237 , pp. 1219-1223
    • Ritz, M.C.1    Lamb, R.J.2    Goldberg, S.R.3    Kuhar, M.J.4
  • 29
    • 78149496311 scopus 로고    scopus 로고
    • The binding sites for benztropines and dopamine in the dopamine transporter overlap
    • Bisgaard H, Larsen MA, Mazier S, Beuming T, Newman AH, et al. (2011) The binding sites for benztropines and dopamine in the dopamine transporter overlap. Neuropharmacology 60: 182-190.
    • (2011) Neuropharmacology , vol.60 , pp. 182-190
    • Bisgaard, H.1    Larsen, M.A.2    Mazier, S.3    Beuming, T.4    Newman, A.H.5
  • 30
    • 0028981083 scopus 로고
    • 100 years of ibogaine: Neurochemical and pharmacological actions of a putative anti-addictive drug
    • Popik P, Layer RT, Skolnick P, (1995) 100 years of ibogaine: Neurochemical and pharmacological actions of a putative anti-addictive drug. Pharmacol Rev 47: 235-253.
    • (1995) Pharmacol Rev , vol.47 , pp. 235-253
    • Popik, P.1    Layer, R.T.2    Skolnick, P.3
  • 32
    • 0027932695 scopus 로고
    • A preliminary investigation of ibogaine: Case reports and recommendations for further study
    • Sheppard SG, (1994) A preliminary investigation of ibogaine: Case reports and recommendations for further study. J Subst Abuse Treat 11: 379-385.
    • (1994) J Subst Abuse Treat , vol.11 , pp. 379-385
    • Sheppard, S.G.1
  • 34
    • 35148879961 scopus 로고    scopus 로고
    • Ibogaine, a noncompetitive inhibitor of serotonin transport, acts by stabilizing the cytoplasm-facing state of the transporter
    • Jacobs MT, Zhang Y, Campbell SD, Rudnick G, (2007) Ibogaine, a noncompetitive inhibitor of serotonin transport, acts by stabilizing the cytoplasm-facing state of the transporter. J Biol Chem 282: 29441-29447.
    • (2007) J Biol Chem , vol.282 , pp. 29441-29447
    • Jacobs, M.T.1    Zhang, Y.2    Campbell, S.D.3    Rudnick, G.4
  • 35
    • 84861541137 scopus 로고    scopus 로고
    • The mechanistic basis for noncompetitive ibogaine inhibition of serotonin and dopamine transporters
    • Bulling S, Schicker K, Zhang Y, Steinkellner T, Stockner T, et al. (2012) The mechanistic basis for noncompetitive ibogaine inhibition of serotonin and dopamine transporters. J Biol Chem 287: 18524-18534.
    • (2012) J Biol Chem , vol.287 , pp. 18524-18534
    • Bulling, S.1    Schicker, K.2    Zhang, Y.3    Steinkellner, T.4    Stockner, T.5
  • 36
    • 0029042958 scopus 로고
    • Identification of a primary metabolite of ibogaine that targets serotonin transporters and elevates serotonin
    • Mash DC, Staley JK, Baumann MH, Rothman RB, Lee Hearn W, (1995) Identification of a primary metabolite of ibogaine that targets serotonin transporters and elevates serotonin. Life Sci 57: PL45-PL50.
    • (1995) Life Sci , vol.57
    • Mash, D.C.1    Staley, J.K.2    Baumann, M.H.3    Rothman, R.B.4    Lee Hearn, W.5
  • 39
    • 0027136282 scopus 로고
    • Comparative protein modelling by satisfaction of spatial restraints
    • Sali A, Blundell TL, (1993) Comparative protein modelling by satisfaction of spatial restraints. J Mol Biol 234: 779-815.
    • (1993) J Mol Biol , vol.234 , pp. 779-815
    • Sali, A.1    Blundell, T.L.2
  • 40
    • 0000403996 scopus 로고
    • The crystal and molecular structure of l-cocaine hydrochloride
    • Gabe EJ, Barnes WH, (1962) The crystal and molecular structure of l-cocaine hydrochloride. Acta Cryst 16: 796-801.
    • (1962) Acta Cryst , vol.16 , pp. 796-801
    • Gabe, E.J.1    Barnes, W.H.2
  • 41
    • 84878907123 scopus 로고    scopus 로고
    • Maestro, version 9.1, Schrödinger, LLC, New York, NY
    • Maestro, version 9.1 (2010) Schrödinger, LLC, New York, NY.
    • (2010)
  • 42
    • 84878936303 scopus 로고    scopus 로고
    • Epik, version 2.1, Schrödinger, LLC, New York, NY
    • Epik, version 2.1 (2010) Schrödinger, LLC, New York, NY.
    • (2010)
  • 43
    • 37749011993 scopus 로고    scopus 로고
    • Epik: A software program for pKa prediction and protonation state generation for drug-like molecules
    • Shelley JC, Cholleti A, Frye LL, Greenwood JR, Timlin MR, et al. (2007) Epik: A software program for pKa prediction and protonation state generation for drug-like molecules. J Comp Aided Mol Des 21: 681-691.
    • (2007) J Comp Aided Mol Des , vol.21 , pp. 681-691
    • Shelley, J.C.1    Cholleti, A.2    Frye, L.L.3    Greenwood, J.R.4    Timlin, M.R.5
  • 44
    • 0142236572 scopus 로고    scopus 로고
    • Low mode search. an efficient, automated computational method for conformational analysis: Application to cyclic and acyclic alkanes and cyclic peptides
    • Kolossváry I, Guida WC, (1996) Low mode search. an efficient, automated computational method for conformational analysis: Application to cyclic and acyclic alkanes and cyclic peptides. J Am Chem Soc 118: 5011-5019.
    • (1996) J Am Chem Soc , vol.118 , pp. 5011-5019
    • Kolossváry, I.1    Guida, W.C.2
  • 45
    • 84878946349 scopus 로고    scopus 로고
    • MacroModel, version 9.8, Schrödinger, LLC, New York, NY
    • MacroModel, version 9.8 (2010) Schrödinger, LLC, New York, NY.
    • (2010)
  • 46
    • 25144517646 scopus 로고    scopus 로고
    • Integrated modeling program, applied chemical theory (IMPACT)
    • Banks FL, Beard HS, Yixiang C, Cho AR, Damm W, et al. (2005) Integrated modeling program, applied chemical theory (IMPACT). J Comput Chem 26: 1752-1780.
    • (2005) J Comput Chem , vol.26 , pp. 1752-1780
    • Banks, F.L.1    Beard, H.S.2    Yixiang, C.3    Cho, A.R.4    Damm, W.5
  • 47
    • 84878918045 scopus 로고    scopus 로고
    • Schrödinger Suite 2010 Induced Fit Docking protocol, Glide version 5.6, Schrödinger, LLC, New York, NY, Prime version 2.2, Schrödinger, LLC, New York, NY
    • Schrödinger Suite 2010 Induced Fit Docking protocol. (2010) Glide version 5.6, Schrödinger, LLC, New York, NY, Prime version 2.2, Schrödinger, LLC, New York, NY.
    • (2010)
  • 48
    • 31544450787 scopus 로고    scopus 로고
    • Novel procedure for modeling ligand/receptor induced fit effects
    • Sherman W, Day T, Jacobson MP, Friesner RA, Farid R, (2006) Novel procedure for modeling ligand/receptor induced fit effects. J Med Chem 49: 534-553.
    • (2006) J Med Chem , vol.49 , pp. 534-553
    • Sherman, W.1    Day, T.2    Jacobson, M.P.3    Friesner, R.A.4    Farid, R.5
  • 49
    • 12144289984 scopus 로고    scopus 로고
    • Glide: A new approach for rapid, accurate docking and scoring. 1. method and assessment of docking accuracy
    • Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, et al. (2004) Glide: A new approach for rapid, accurate docking and scoring. 1. method and assessment of docking accuracy. J Med Chem 47: 1739-1749.
    • (2004) J Med Chem , vol.47 , pp. 1739-1749
    • Friesner, R.A.1    Banks, J.L.2    Murphy, R.B.3    Halgren, T.A.4    Klicic, J.J.5
  • 50
    • 33750124980 scopus 로고    scopus 로고
    • Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
    • Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, et al. (2006) Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. J Med Chem 49: 6177-6196.
    • (2006) J Med Chem , vol.49 , pp. 6177-6196
    • Friesner, R.A.1    Murphy, R.B.2    Repasky, M.P.3    Frye, L.L.4    Greenwood, J.R.5
  • 51
    • 84878941491 scopus 로고    scopus 로고
    • Schrödinger Suite 2010 Protein Preparation Wizard, Epik version 2.1, Schrödinger LLC, New York, NY, Impact version 5.6, Schrödinger, LLC, New York, NY, 2010, Prime version 2.2, Schrödinger, LLC, New York, NY
    • Schrödinger Suite 2010 Protein Preparation Wizard. (2010) Epik version 2.1, Schrödinger LLC, New York, NY, Impact version 5.6, Schrödinger, LLC, New York, NY, 2010, Prime version 2.2, Schrödinger, LLC, New York, NY.
    • (2010)
  • 53
    • 33645941402 scopus 로고
    • The OPLS potential functions for proteins - energyminimizations for crystals of cyclic-peptides and crambin
    • Jorgensen WL, Tirado-Rives J, (1988) The OPLS potential functions for proteins - energyminimizations for crystals of cyclic-peptides and crambin. J Am Chem Soc 110: 1666-1671.
    • (1988) J Am Chem Soc , vol.110 , pp. 1666-1671
    • Jorgensen, W.L.1    Tirado-Rives, J.2
  • 54
    • 0035913529 scopus 로고    scopus 로고
    • Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
    • Kaminski GA, Friesner RA, Tirado-Rives J, Jorgensen WL, (2001) Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides. J Phys Chem B 105: 6474-6487.
    • (2001) J Phys Chem B , vol.105 , pp. 6474-6487
    • Kaminski, G.A.1    Friesner, R.A.2    Tirado-Rives, J.3    Jorgensen, W.L.4
  • 55
    • 84878920122 scopus 로고    scopus 로고
    • Impact, version 5.6, Schrödinger, LLC, New York, NY
    • Impact, version 5.6 (2005) Schrödinger, LLC, New York, NY.
    • (2005)
  • 56
    • 0041784950 scopus 로고    scopus 로고
    • All-atom empirical potential for molecular modeling and dynamics studies of proteins
    • MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, et al. (1998) All-atom empirical potential for molecular modeling and dynamics studies of proteins. J Phys Chem B 102: 3586-3616.
    • (1998) J Phys Chem B , vol.102 , pp. 3586-3616
    • MacKerell, A.D.1    Bashford, D.2    Bellott, M.3    Dunbrack, R.L.4    Evanseck, J.D.5
  • 57
    • 41449093586 scopus 로고    scopus 로고
    • Substrate binding and formation of an occluded state in the leucine transporter
    • Celik L, Schiøtt B, Tajkhorshid E, (2008) Substrate binding and formation of an occluded state in the leucine transporter. Biophys J 94: 1600-1612.
    • (2008) Biophys J , vol.94 , pp. 1600-1612
    • Celik, L.1    Schiøtt, B.2    Tajkhorshid, E.3
  • 58
    • 78049427382 scopus 로고    scopus 로고
    • Modeling and dynamics of the inward-facing state of a Na+/Cl- dependent neurotransmitter transporter homologue
    • doi:10.1371/journal.pcbi.1000905
    • Shaikh SA, Tajkhorshid E, (2010) Modeling and dynamics of the inward-facing state of a Na+/Cl- dependent neurotransmitter transporter homologue. PLoS Comput Biol 6: e1000905 doi: 10.1371/journal.pcbi.1000905.
    • (2010) PLoS Comput Biol , vol.6
    • Shaikh, S.A.1    Tajkhorshid, E.2
  • 59
    • 60749137618 scopus 로고    scopus 로고
    • Serotonin transporter oligomerization documented in RN46A cells and neurons by sensitized acceptor emission FRET and fluorescence lifetime imaging microscopy
    • Fjorback AW, Pla P, Müller HK, Wiborg O, Saudou F, et al. (2009) Serotonin transporter oligomerization documented in RN46A cells and neurons by sensitized acceptor emission FRET and fluorescence lifetime imaging microscopy. Biochem Biophys Res Commun 380: 724-728.
    • (2009) Biochem Biophys Res Commun , vol.380 , pp. 724-728
    • Fjorback, A.W.1    Pla, P.2    Müller, H.K.3    Wiborg, O.4    Saudou, F.5
  • 60
    • 2542461709 scopus 로고    scopus 로고
    • Sodium-dependent neurotransmitter transporters: Oligomerization as a determinant of transporter function and trafficking
    • Sitte HH, Farhan H, Javitch JA, (2004) Sodium-dependent neurotransmitter transporters: Oligomerization as a determinant of transporter function and trafficking. Mol Interv 4: 38-47.
    • (2004) Mol Interv , vol.4 , pp. 38-47
    • Sitte, H.H.1    Farhan, H.2    Javitch, J.A.3
  • 63
    • 36449003554 scopus 로고
    • Constant pressure molecular dynamics algorithms
    • Martyna GJ, Tobias DJ, Klein ML, (1994) Constant pressure molecular dynamics algorithms. J Chem Phys 101: 4177-4189.
    • (1994) J Chem Phys , vol.101 , pp. 4177-4189
    • Martyna, G.J.1    Tobias, D.J.2    Klein, M.L.3
  • 64
    • 36449007836 scopus 로고
    • Constant pressure molecular dynamics simulation: The langevin piston method
    • Feller SE, Zhang Y, Pastor RW, Brooks BR, (1995) Constant pressure molecular dynamics simulation: The langevin piston method. J Chem Phys 103: 4613-4621.
    • (1995) J Chem Phys , vol.103 , pp. 4613-4621
    • Feller, S.E.1    Zhang, Y.2    Pastor, R.W.3    Brooks, B.R.4
  • 67
    • 77954613193 scopus 로고    scopus 로고
    • Asymmetric switching in a homodimeric ABC transporter: A simulation study
    • doi:10.1371/journal.pcbi.1000762
    • Aittoniemi J, de Wet H, Ashcroft FM, Sansom MSP, (2010) Asymmetric switching in a homodimeric ABC transporter: A simulation study. PLoS Comput Biol 6: e1000762 doi: 10.1371/journal.pcbi.1000762.
    • (2010) PLoS Comput Biol , vol.6
    • Aittoniemi, J.1    de Wet, H.2    Ashcroft, F.M.3    Sansom, M.S.P.4
  • 68
    • 0035232406 scopus 로고    scopus 로고
    • Comparative neuropharmacology of ibogaine and its O-desmethyl metabolite, noribogaine
    • Baumann MH, Pablo J, Ali SF, Rothman RB, Mash DC, (2001) Comparative neuropharmacology of ibogaine and its O-desmethyl metabolite, noribogaine. Alkaloids Chem Biol 56: 76-113.
    • (2001) Alkaloids Chem Biol , vol.56 , pp. 76-113
    • Baumann, M.H.1    Pablo, J.2    Ali, S.F.3    Rothman, R.B.4    Mash, D.C.5
  • 69
    • 77954383579 scopus 로고    scopus 로고
    • Ion/substrate-dependent conformational dynamics of a bacterial homolog of Neurotransmitter:Sodium Symporters
    • Claxton DP, Quick M, Shi L, de Carvalho FD, Weinstein H, et al. (2010) Ion/substrate-dependent conformational dynamics of a bacterial homolog of Neurotransmitter:Sodium Symporters. Nat Struct Mol Biol 17: 822-829.
    • (2010) Nat Struct Mol Biol , vol.17 , pp. 822-829
    • Claxton, D.P.1    Quick, M.2    Shi, L.3    de Carvalho, F.D.4    Weinstein, H.5
  • 70
    • 33845966416 scopus 로고    scopus 로고
    • The cytoplasmic substrate permeation pathway of serotonin transporter
    • Zhang Y, Rudnick G, (2006) The cytoplasmic substrate permeation pathway of serotonin transporter. J Biol Chem 281: 36213-36220.
    • (2006) J Biol Chem , vol.281 , pp. 36213-36220
    • Zhang, Y.1    Rudnick, G.2
  • 71
    • 33744948233 scopus 로고    scopus 로고
    • The conserved glutamate (Glu136) in transmembrane domain 2 of the serotonin transporter is required for the conformational switch in the transport cycle
    • Korkhov VM, Holy M, Freissmuth M, Sitte HH, (2006) The conserved glutamate (Glu136) in transmembrane domain 2 of the serotonin transporter is required for the conformational switch in the transport cycle. J Biol Chem 281: 13439-13448.
    • (2006) J Biol Chem , vol.281 , pp. 13439-13448
    • Korkhov, V.M.1    Holy, M.2    Freissmuth, M.3    Sitte, H.H.4
  • 72
    • 79952811744 scopus 로고    scopus 로고
    • The role of local hydration and hydrogen-bonding dynamics in ion and solute release from ion-coupled secondary transporters
    • Zhao C, Noskov SY, (2011) The role of local hydration and hydrogen-bonding dynamics in ion and solute release from ion-coupled secondary transporters. Biochemistry 50: 1848-1856.
    • (2011) Biochemistry , vol.50 , pp. 1848-1856
    • Zhao, C.1    Noskov, S.Y.2
  • 73
    • 44949086583 scopus 로고    scopus 로고
    • The mechanism of a Neurotransmitter:Sodium Symporter - Inward release of Na+ and substrate is triggered by substrate in a second binding site
    • Shi L, Quick M, Zhao Y, Weinstein H, Javitch JA, (2008) The mechanism of a Neurotransmitter:Sodium Symporter - Inward release of Na+ and substrate is triggered by substrate in a second binding site. Mol Cell 30: 667-677.
    • (2008) Mol Cell , vol.30 , pp. 667-677
    • Shi, L.1    Quick, M.2    Zhao, Y.3    Weinstein, H.4    Javitch, J.A.5
  • 74
    • 79551598571 scopus 로고    scopus 로고
    • The substrate-driven transition to an inward-facing conformation in the functional mechanism of the dopamine transporter
    • doi:10.1371/journal.pone.0016350
    • Shan J, Javitch JA, Shi L, Weinstein H, (2011) The substrate-driven transition to an inward-facing conformation in the functional mechanism of the dopamine transporter. PLoS ONE 6: e16350 doi: 10.1371/journal.pone.0016350.
    • (2011) PLoS ONE , vol.6
    • Shan, J.1    Javitch, J.A.2    Shi, L.3    Weinstein, H.4
  • 75
    • 84873952800 scopus 로고    scopus 로고
    • Steric hindrance mutagenesis in the conserved extracellular vestibule impedes allosteric binding of antidepressants to the serotonin transporter
    • Plenge P, Shi L, Beuming T, Te J, Newman AH, et al. (2012) Steric hindrance mutagenesis in the conserved extracellular vestibule impedes allosteric binding of antidepressants to the serotonin transporter. J Biol Chem 287: 39316-39326.
    • (2012) J Biol Chem , vol.287 , pp. 39316-39326
    • Plenge, P.1    Shi, L.2    Beuming, T.3    Te, J.4    Newman, A.H.5


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