Publications

Publications

2024

Farr C.V., Xiao Y., El-Kasaby A., Schupp M., Hotka M., Di Mauro G., Clarke A., Pastor Fernandez M., Sandtner W., Stockner T., Klade C., Maulide N., Freissmuth M. Probing the Chemical Space of Guanidino-Carboxylic Acids to Identify the First Blockers of the Creatine-Transporter-1.  (2024) Molecular Pharmacology, 106(4) [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Skerjanz J., Bauernhofer L., Lenk K., Emmerstorfer-Augustin A., Leitinger G., Reichmann F., Stockner T., Groschner K., Tiapko O. TRPC1: The housekeeper of the hippocampus. (2024) Cell Calcium, 123, 102933 [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Clarke A., Skerjanz J.,  Gsell M.A.F., Wiedner P., Erkan-Candag H., Groschner K., Stockner T., Tiapko O. PIP2 modulates TRPC3 activity via TRP helix and S4-S5 linker. (2024) Nature Communications, 15(1), 5220 [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Bhatt M., Lazzarin E., Alberto-Silva A.S., Domingo  G., Zerlotti R., Gradisch R., Bazzone A., Sitte H.H., Stockner, T., Bossi, E. Unveiling the crucial role of betaine: modulation of GABA homeostasis via SLC6A1 transporter (GAT1). (2024) Cellular and Molecular Life Sciences, 81(1), 269 [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Alberto-Silva A.S., Hemmer S., Bock H.A., da Silva L.A., Scott K.R., Kastner N., Bhatt M., Niello M., Jäntsch K., Kudlacek O., Bossi E., Stockner T., Meyer M.R., McCorvy J.D., Brandt S.D., Kavanagh P., Sitte H.H. Bioisosteric analogs of MDMA: Improving the pharmacological profile? (2024) Journal of Neurochemistry, 168(9), 2022-2042  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Lazzarin E., Gradisch R., Skopec S.M.C., Alves da Silva L., Szöllősi D., Maier J., Sucic S., Kanner B.I., Sitte H.H., Stockner T. Interaction of GAT1 with sodium ions: from efficient recruitment to stabilisation of substrate and conformation. (2024) eLife:preprint  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Sajan S.A., Gradisch R., Vogel F.D., Coffey A.J., Salyakina D., Soler D., Jayakar P., Jayakar A., Bianconi S.E., Cooper A.H., Liu S., William N., Benkel-Herrenbrück I., Maiwald R., Heller C., Biskup S., Leiz S., Westphal D.S., Wagner M., Clarke A., Stockner T., Ernst M., Kesari A., Krenn M. De novo variants in GABRA4 are associated with a neurological phenotype including developmental delay, behavioral abnormalities and epilepsy. (2024) European Journal of Human Genetics, 32(8), 912-919 [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Clarke A., Farr C.V., El-Kasaby A., Szöllősi D., Freissmuth M., Sucic S., Stockner T. Probing binding and occlusion of substrate in the human creatine transporter-1 by computation and mutagenesis. (2024) Protein Science, 33 (1), e4842  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Gradisch R., Schlögl K., Lazzarin E., Niello M., Maier J., Mayer F.P., Alves da Silva L., Skopec S.M.C., Blakely R.D., Sitte H.H., Mihovilovic M.D., Stockner T. Ligand coupling mechanism of the human serotonin transporter differentiates substrates from inhibitors. (2024) Nature Communications, 15 (1), 417  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Alves da Silva L., Lazzarin E., Gradisch R., Clarke A., Stockner T. Free energy profile of the substrate-induced occlusion of the human serotonin transporter. (2024) Journal of Neurochemistry, 168(9), 1993-2006  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2023

Ozvoldik K., Stockner T., Krieger E. YASARA Model-Interactive Molecular Modeling from Two Dimensions to Virtual Realities. (2023) Journal of Chemical Information and Modeling, 63 (20), pp. 6177 - 6182   [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Bhatt M., Gauthier-Manuel L., Lazzarin E., Zerlotti R., Ziegler C., Bazzone A., Stockner T., Bossi E. A comparative review on the well-studied GAT1 and the understudied BGT-1 in the brain. (2023) Frontiers in Physiology, 14, art. no. 1145973; DOI: 10.3389/fphys.2023.1145973  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Niello M., Sideromenos S., Gradisch R., O'Shea R., Schwazer J., Maier J., Kastner N., Sandtner W., Jäntsch K., Lupica C.R., Hoffman A.F., Lubec G., Loland C.J., Stockner T., Pollak D.D., Baumann M.H., Sitte H.H. Persistent binding at dopamine transporters determines sustained psychostimulant effects. (2023) Proceedings of the National Academy of Sciences of the United States of America, 120 (6), art. no. e2114204120; DOI: 10.1073/pnas.2114204120  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Gyöngy Z., Mocsár G., Hegedűs É., Stockner T., Ritter Z., Homolya L., Schamberger A., Orbán T.I., Remenyik J., Szakacs G., Goda K. Nucleotide binding is the critical regulator of ABCG2 conformational transitions. (2023) eLife, 12, art. no. e83976; DOI: 10.7554/eLife.83976  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2022

Luethi D., Maier J., Rudin D., Szöllősi D., Angenoorth T.J.F., Stankovic S., Schittmayer M., Burger I., Yang J.-W., Jaentsch K., Holy M., Das A.K., Brameshuber M., Camacho-Hernandez G.A., Casiraghi A., Newman A.H., Kudlacek O., Birner-Gruenberger R., Stockner T., Schütz G.J., Sitte H.H. Phosphatidylinositol 4,5-bisphosphate (PIP2) facilitates norepinephrine transporter dimerization and modulates substrate efflux. (2022) Communications Biology, 5 (1), art. no. 1259; DOI: 10.1038/s42003-022-04210-1  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Rudin D., McCorvy J.D., Glatfelter G.C., Luethi D., Szöllősi D., Ljubišić T., Kavanagh P.V., Dowling G., Holy M., Jaentsch K., Walther D., Brandt S.D., Stockner T., Baumann M.H., Halberstadt A.L., Sitte H.H. (2-Aminopropyl)benzo[β]thiophenes (APBTs) are novel monoamine transporter ligands that lack stimulant effects but display psychedelic-like activity in mice. (2022) Neuropsychopharmacology, 47 (4), pp. 914 - 923; DOI: 10.1038/s41386-021-01221-0  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Erkan-Candag H., Clarke A., Tiapko O., Gsell M.A.F., Stockner T., Groschner K. Diacylglycerols interact with the L2 lipidation site in TRPC3 to induce a sensitized channel state. (2022) EMBO Reports, 23 (7), e54276; DOI: 10.15252/embr.202154276  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Szöllősi D., Stockner T. Sodium Binding Stabilizes the Outward-Open State of SERT by Limiting Bundle Domain Motions. (2022) Cells, 11 (2), art. no. 255; DOI: 10.3390/cells11020255  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Clarke A., Groschner K., Stockner T. Exploring TRPC3 Interaction with Cholesterol through Coarse-Grained Molecular Dynamics Simulations. (2022) Biomolecules, 12 (7), art. no. 890; DOI: 10.3390/biom12070890  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Gradisch R., Szollosi D., Niello M., Lazzarin E., Sitte H.H., Stockner T. Occlusion of the human serotonin transporter is mediated by serotonin-induced conformational changes in the bundle domain. (2022) Journal of Biological Chemistry, 298 (3), 101613; DOI: 10.1016/j.jbc.2022.101613  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Ponleitner M., Szöllősi D., El-Kasaby A., Koban F., Freissmuth M., Stockner T. Thermal Unfolding of the Human Serotonin Transporter: Differential Effect by Stabilizing and Destabilizing Mutations and Cholesterol on Thermodynamic and Kinetic Stability. (2022) Molecular Pharmacology, 101 (2), pp. 95 - 105; DOI: 10.1124/MOLPHARM.121.000413  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Erkan‐candag H., Krivic D., Gsell M.A.F., Aleksanyan M., Stockner T., Dimova R., Tiapko O., Groschner K. Characterization of DAG Binding to TRPC Channels by Target‐Dependent Cis–Trans Isomerization of OptoDArG. (2022) Biomolecules, 12 (6), 799; DOI: 10.3390/biom12060799  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Khanppnavar B., Maier J., Herborg F., Gradisch R., Lazzarin E., Luethi D., Yang J.-W., Qi C., Holy M., Jäntsch K., Kudlacek O., Schicker K., Werge T., Gether U., Stockner T., Korkhov V.M., Sitte H.H. Structural basis of organic cation transporter-3 inhibition. (2022) Nature Communications, 13 (1), 6714; DOI: 10.1038/s41467-022-34284-8  [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2021

Sohail M.I., Dönmez-Cakil Y., Szöllősi D., Stockner T., Chiba P. The bile salt export pump: Molecular structure, study models and small-molecule drugs for the treatment of inherited bsep deficiencies. (2021) International Journal of Molecular Sciences, 22 (2), 784, pp. 1 - 21; DOI: 10.3390/ijms22020784; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Jayaraman K., Das A.K., Luethi D., Szöllősi D., Schütz G.J., Reith M.E.A., Sitte H.H., Stockner T. SLC6 transporter oligomerization. (2021) Journal of Neurochemistry, 157 (4), pp. 919 - 929; DOI: 10.1111/jnc.15145; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Szöllősi D., Stockner T. Investigating the Mechanism of Sodium Binding to SERT Using Direct Simulations. (2021) Frontiers in Cellular Neuroscience, 15, 673782; DOI: 10.3389/fncel.2021.673782; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Mitchell-White J.I., Stockner T., Holliday N., Briddon S.J., Kerr I.D. Analysis of sequence divergence in mammalian ABCGs predicts a structural network of residues that underlies functional divergence. (2021) International Journal of Molecular Sciences, 22 (6), 3012, pp. 1 - 16; DOI: 10.3390/ijms22063012; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Ozvoldik K., Stockner T., Rammner B., Krieger E. Assembly of Biomolecular Gigastructures and Visualization with the Vulkan Graphics API. (2021) Journal of Chemical Information and Modeling, 61 (10), pp. 5293 - 5303; DOI: 10.1021/acs.jcim.1c00743; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2020

Goda K., Dönmez-Cakil Y., Tarapcsák S., Szalóki G., Szöllősi D., Parveen Z., Türk D., Szakács G., Chiba P., Stockner T. Human ABCB1 with an ABCB11-like degenerate nucleotide binding site maintains transport activity by avoiding nucleotide occlusion. (2020) PLoS Genetics, 16 (10), e1009016; DOI: 10.1371/journal.pgen.1009016; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Nasrollahi-Shirazi S., Szöllösi D., Yang Q., Muratspahic E., El-Kasaby A., Sucic S., Stockner T., Nanoff C., Freissmuth M. Functional impact of the G279S substitution in the adenosine A1-receptor (A1R-G279S7.44), a mutation associated with Parkinson's disease. (2020) Molecular Pharmacology, 98 (3), pp. 250 - 266; DOI: 10.1124/mol.120.000003; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Bacsa B., Tiapko O., Stockner T., Groschner K. Mechanisms and significance of Ca2+ entry through TRPC channels. (2020) Current Opinion in Physiology, 17, pp. 25 - 33; DOI: 10.1016/j.cophys.2020.06.005; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Hall J.L., Sohail A., Cabrita E.J., Macdonald C., Stockner T., Sitte H.H., Angulo J., MacMillan F. Saturation transfer difference NMR on the integral trimeric membrane transport protein GltPh determines cooperative substrate binding. (2020) Scientific Reports, 10 (1), 16483; DOI: 10.1038/s41598-020-73443-z; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Khan J.A., Sohail A., Jayaraman K., Szöllősi D., Sandtner W., Sitte H.H., Stockner T. The Amino Terminus of LeuT Changes Conformation in an Environment Sensitive Manner. (2020) Neurochemical Research, 45 (6), pp. 1387 - 1398; DOI: 10.1007/s11064-019-02928-9; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Nasim F., Schmid D., Szakács G., Sohail A., Sitte H.H., Chiba P., Stockner T. Active transport of rhodamine 123 by the human multidrug transporter P-glycoprotein involves two independent outer gates. (2020) Pharmacology Research and Perspectives, 8 (2), e00572; DOI: 10.1002/prp2.572; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Niello M., Gradisch R., Loland C.J., Stockner T., Sitte H.H. Allosteric Modulation of Neurotransmitter Transporters as a Therapeutic Strategy. (2020) Trends in Pharmacological Sciences, 41 (7), pp. 446 - 463; DOI: 10.1016/j.tips.2020.04.006; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Khunweeraphong N., Mitchell-White J., Szöllősi D., Hussein T., Kuchler K., Kerr I.D., Stockner T., Lee J.-Y. Picky ABCG5/G8 and promiscuous ABCG2 - a tale of fatty diets and drug toxicity. (2020) FEBS Letters, 594 (23), pp. 4035 - 4058; DOI: 10.1002/1873-3468.13938; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Szöllősi D., Chiba P., Szakacs G., Stockner T. Conversion of chemical to mechanical energy by the nucleotide binding domains of ABCB1. (2020) Scientific Reports, 10 (1), 2589; DOI: 10.1038/s41598-020-59403-7; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Stockner T., Gradisch R., Schmitt L. The role of the degenerate nucleotide binding site in type I ABC exporters. (2020) FEBS Letters, 594 (23), pp. 3815 - 3838; DOI: 10.1002/1873-3468.13997; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2019

Campbell N.G., Shekar A., Aguilar J.I., Peng D., Navratna V., Yang D., Morley A.N., Duran A.M., Galli G., O’Grady B., Ramachandran R., Sutcliffe J.S., Sitte H.H., Erreger K., Meiler J., Stockner T., Bellan L.M., Matthies H.J.G., Gouaux E., Mchaourab H.S., Galli A. Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion in SLC6A3. (2019) Proceedings of the National Academy of Sciences of the United States of America, 116 (9), pp. 3853 - 3862; DOI: 10.1073/pnas.1816247116; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Das A.K., Kudlacek O., Baumgart F., Jaentsch K., Stockner T., Sitte H.H., Schütz G.J. Dopamine transporter forms stable dimers in the live cell plasma membrane in a phosphatidylinositol 4,5-bisphosphate independent manner. (2019) Journal of Biological Chemistry, 294 (14), pp. 5632 - 5642; DOI: 10.1074/jbc.RA118.006178; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Khunweeraphong N., Szöllősi D., Stockner T., Kuchler K. The ABCG2 multidrug transporter is a pump gated by a valve and an extracellular lid. (2019) Nature Communications, 10 (1), 5433; DOI: 10.1038/s41467-019-13302-2; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2018

Jayaraman K., Morley A.N., Szöllősi D., Wassenaar T.A., Sitte H.H., Stockner T. Dopamine transporter oligomerization involves the scaffold domain, but spares the bundle domain. (2018) PLoS Computational Biology, 14 (6), e1006229; DOI: 10.1371/journal.pcbi.1006229; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Szöllősi D., Rose-Sperling D., Hellmich U.A., Stockner T. Comparison of mechanistic transport cycle models of ABC exporters. (2018) Biochimica et Biophysica Acta - Biomembranes, 1860 (4), pp. 818 - 832; DOI: 10.1016/j.bbamem.2017.10.028; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Silverstein N., Sliman A., Stockner T., Kanner B.I. Both reentrant loops of the sodium-coupled glutamate transporters contain molecular determinants of cation selectivity. (2018) Journal of Biological Chemistry, 293 (37), pp. 14200 - 14209. DOI: 10.1074/jbc.RA118.003261; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Lichtenegger M., Tiapko O., Svobodova B., Stockner T., Glasnov T.N., Schreibmayer W., Platzer D., De La Cruz G.G., Krenn S., Schober R., Shrestha N., Schindl R., Romanin C., Groschner K. An optically controlled probe identifies lipid-gating fenestrations within the TRPC3 channel.  (2018) Nature Chemical Biology, 14 (4), pp. 396 - 404; DOI: 10.1038/s41589-018-0015-6; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Szöllősi D., Szakács G., Chiba P., Stockner T. Dissecting the Forces that Dominate Dimerization of the Nucleotide Binding Domains of ABCB1. (2018) Biophysical Journal, 114 (2), pp. 331 - 342; DOI: 10.1016/j.bpj.2017.11.022; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Hunter T., Bonetta R., Sacco A., Vella M., Sultana P.-M., Trinh C.H., Fadia H.B.R., Borowski T., Garcia-Fandiño R., Stockner T., Hunter G.J. A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron. (2018) Chemistry - A European Journal, 24 (20), pp. 5303 - 5308; DOI: 10.1002/chem.201704655; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Freissmuth M., Stockner T., Sucic S. SLC6 transporter folding diseases and pharmacochaperoning. (2018) Handbook of Experimental Pharmacology, 245, pp. 249 - 270; DOI: 10.1007/164_2017_71; [Journal] [scopus] [PubMed] [EuroPMC] [DOI]

2017

Sweeney C.G., Tremblay B.P., Stockner T., Sitte H.H., Melikian H.E. Dopamine transporter amino and carboxyl termini synergistically contribute to substrate and inhibitor affinities. (2017) Journal of Biological Chemistry, 292 (4), pp. 1302 - 1309; DOI: 10.1074/jbc.M116.762872; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Kudlacek O., Hofmaier T., Luf A., Stockner T., Nagy C., Holy M., Freissmuth M., Schmid R., Sitte H.H. Cocaine Adulterants and Effects on Monoamine Transporters. (2017) The Neuroscience of Cocaine: Mechanisms and Treatment, pp. 59 - 68; DOI: 10.1016/B978-0-12-803750-8.00007-5; [Journal] [scopus] [DOI] [PDF]

Feenstra T., Thøgersen M.S., Wieser E., Peschel A., Ball M.J., Brandes R., Satchell S.C., Stockner T., Aarestrup F.M., Rees A.J., Kain R. Adhesion of Escherichia coli under flow conditions reveals potential novel effects of FimH mutations. (2017) European Journal of Clinical Microbiology and Infectious Diseases, 36 (3), pp. 467 - 478; DOI: 10.1007/s10096-016-2820-8; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Kasture A., Stockner T., Freissmuth M., Sucic S. An unfolding story: Small molecules remedy misfolded monoamine transporters. (2017) International Journal of Biochemistry and Cell Biology, 92, pp. 1 - 5; DOI: 10.1016/j.biocel.2017.09.004; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Kudlacek O., Hofmaier T., Luf A., Mayer F.P., Stockner T., Nagy C., Holy M., Freissmuth M., Schmid R., Sitte H.H. Cocaine adulteration. (2017) Journal of Chemical Neuroanatomy, 83-84, pp. 75 - 81; DOI: 10.1016/j.jchemneu.2017.06.001; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Khunweeraphong N., Stockner T., Kuchler K. The structure of the human ABC transporter ABCG2 reveals a novel mechanism for drug extrusion. (2017) Scientific Reports, 7 (1), 13767; DOI: 10.1038/s41598-017-11794-w; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Sohail M.I., Schmid D., Wlcek K., Spork M., Szakács G., Trauner M., Stockner T., Chiba P. Molecular mechanism of taurocholate transport by the bile salt export pump, an ABC transporter associated with intrahepatic cholestasis. (2017) Molecular Pharmacology, 92 (4), pp. 401 - 413; DOI: 10.1124/mol.117.108688; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Anderluh A., Hofmaier T., Klotzsch E., Kudlacek O., Stockner T., Sitte H.H., Schütz G.J. Direct PIP 2 binding mediates stable oligomer formation of the serotonin transporter. (2017) Nature Communications, 8, 14089; DOI: 10.1038/ncomms14089; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Spork M., Sohail M.I., Schmid D., Ecker G.F., Freissmuth M., Chiba P., Stockner T. Folding correction of ABC-transporter ABCB1 by pharmacological chaperones: a mechanistic concept. (2017) Pharmacology Research and Perspectives, 5 (3), e00325; DOI: 10.1002/prp2.325; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Szöllosi D., Chiba P., Szakács G., Stockner T., Hegedus T. Mechanism of drug transport by ABC multidrug proteins in structural perspectives. (2017) Amino Acids, Peptides and Proteins, 41, pp. 152 - 187; DOI: 10.1039/9781782626619-00152; [scopus] [DOI]

Seddik A., Geerke D.P., Stockner T., Holy M., Kudlacek O., Cozzi N.V., Ruoho A.E., Sitte H.H., Ecker G.F. Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter. (2017) Molecular Informatics, 36 (5), art. no. 1600094; DOI: 10.1002/minf.201600094; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF

2016

Kasture A., El-Kasaby A., Szöllosi D., Mazhar Asjad H.M., Grimm A., Stockner T., Hummel T., Freissmuth M., Sucic S. Functional rescue of a misfolded Drosophila melanogaster dopamine transporter mutant associated with a sleepless phenotype by pharmacological chaperones. (2016) Journal of Biological Chemistry, 291 (40), pp. 20876 - 20890; DOI: 10.1074/jbc.M116.737551; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Sohail A., Jayaraman K., Venkatesan S., Gotfryd K., Daerr M., Gether U., Loland C.J., Wanner K.T., Freissmuth M., Sitte H.H., Sandtner W., Stockner T. The Environment Shapes the Inner Vestibule of LeuT. (2016) PLoS Computational Biology, 12 (11), art. no. e1005197; DOI: 10.1371/journal.pcbi.1005197; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Sandtner W., Stockner T., Hasenhuetl P.S., Partilla J.S., Seddik A., Zhang Y.-W., Cao J., Holy M., Steinkellner T., Rudnick G., Baumann M.H., Ecker G.F., Newman A.H., Sitte H.H. Binding mode selection determines the action of ecstasy homologs at monoamine transporters. (2016) Molecular Pharmacology, 89 (1), pp. 165 - 175; DOI: 10.1124/mol.115.101394; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Zhu R., Sinwel D., Hasenhuetl P.S., Saha K., Kumar V., Zhang P., Rankl C., Holy M., Sucic S., Kudlacek O., Karner A., Sandtner W., Stockner T., Gruber H.J., Freissmuth M., Hauck Newman A., Sitte H.H., Hinterdorfer P. Nanopharmacological Force Sensing to Reveal Allosteric Coupling in Transporter Binding Sites. (2016) Angewandte Chemie - International Edition, 55 (5), pp. 1719 - 1722; DOI: 10.1002/anie.201508755; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2015

Zayats V., Stockner T., Pandey S.K., Wörz K., Ettrich R., Ludwig J. A refined atomic scale model of the Saccharomyces cerevisiae K+-translocation protein Trk1p combined with experimental evidence confirms the role of selectivity filter glycines and other key residues. (2015) Biochimica et Biophysica Acta - Biomembranes, 1848 (5), pp. 1183 - 1195; DOI: 10.1016/j.bbamem.2015.02.007; [Journal] [scopus] [PubMed] [DOI] [PDF]

Venkatesan S., Saha K., Sohail A., Sandtner W., Freissmuth M., Ecker G.F., Sitte H.H., Stockner T.  Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site. (2015) PLoS Computational Biology, 11 (10), art. no. e1004551; DOI: 10.1371/journal.pcbi.1004551; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Hasenhuetl P.S., Schicker K., Koenig X., Li Y., Sarker S., Stockner T., Sucic S., Sitte H.H., Freissmuth M., Sandtner W. Ligand selectivity among the dopamine and serotonin transporters specified by the forward binding reactions. (2015) Molecular Pharmacology, 88 (1), pp. 12 - 18; DOI: 10.1124/mol.115.099036; [Journal] [scopus] [PubMed] [DOI] [PDF]

Koban F., El-Kasaby A., Häusler C., Stockner T., Simbrunner B.M., Sitte H.H., Freissmuth M., Sucic S. A salt bridge linking the first intracellular loop with the C terminus facilitates the folding of the serotonin transporter. (2015) Journal of Biological Chemistry, 290 (21), pp. 13263 - 13278; DOI: 10.1074/jbc.M115.641357; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Stockner T., Mullen A., MacMillan F. Investigating the dynamic nature of the ABC transporters: ABCB1 and MsbA as examples for the potential synergies of MD theory and EPR applications. (2015) Biochemical Society Transactions, 43, pp. 1023 - 1032; DOI: 10.1042/BST20150138; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Jurik A., Zdrazil B., Holy M., Stockner T., Sitte H.H., Ecker G.F. A binding mode hypothesis of tiagabine confirms liothyronine effect on γ-aminobutyric acid transporter 1 (GAT1). (2015) Journal of Medicinal Chemistry, 58 (5), pp. 2149 - 2158; DOI: 10.1021/jm5015428; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Saha K., Partilla J.S., Lehner K.R., Seddik A., Stockner T., Holy M., Sandtner W., Ecker G.F., Sitte H.H., Baumann M.H. 'Second-Generation' Mephedrone Analogs, 4-MEC and 4-MePPP, Differentially Affect Monoamine Transporter Function. (2015) Neuropsychopharmacology, 40 (6), pp. 1321 - 1331; DOI: 10.1038/npp.2014.325; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2014

Baumann M.H., Bulling S., Benaderet T.S., Saha K., Ayestas M.A., Partilla J.S., Ali S.F., Stockner T., Rothman R.B., Sandtner W., Sitte H.H. Evidence for a role of transporter-mediated currents in the depletion of brain serotonin induced by serotonin transporter substrates. (2014) Neuropsychopharmacology, 39 (6), pp. 1355 - 1365; DOI: 10.1038/npp.2013.331; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Hofmaier T., Luf A., Seddik A., Stockner T., Holy M., Freissmuth M., Ecker G.F., Schmid R., Sitte H.H., Kudlacek O. Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters. (2014) Neurochemistry International, 73 (1), pp. 32 - 41; DOI: 10.1016/j.neuint.2013.11.010; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Fenollar-Ferrer C., Stockner T., Schwarz T.C., Pal A., Gotovina J., Hofmaier T., Jayaraman K., Adhikary S., Kudlacek O., Mehdipour A.R., Tavoulari S., Rudnick G., Singh S.K., Konrat R., Sitte H.H., Forrest L.R. Structure and regulatory interactions of the cytoplasmic terminal domains of serotonin transporter. (2014) Biochemistry, 53 (33), pp. 5444 - 5460; DOI: 10.1021/bi500637f; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Burtscher V., Schicker K., Novikova E., Pöhn B., Stockner T., Kugler C., Singh A., Zeitz C., Lancelot M.-E., Audo I., Leroy B.P., Freissmuth M., Herzig S., Matthes J., Koschak A. Spectrum of Cav1.4 dysfunction in congenital stationary night blindness type 2. (2014) Biochimica et Biophysica Acta - Biomembranes, 1838 (8), pp. 2053 - 2065; DOI: 10.1016/j.bbamem.2014.04.023; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Cakil Y.D., Khunweeraphong N., Parveen Z., Schmid D., Artaker M., Ecker G.F., Sitte H.H., Pusch O., Stockner T., Chiba P. Pore-exposed tyrosine residues of p-glycoprotein are important hydrogen-bonding partners for drugs. (2014) Molecular Pharmacology, 85 (3), pp. 420 - 428; DOI: 10.1124/mol.113.088526; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Rudashevskaya E.L., Stockner T., Trauner M., Freissmuth M., Chiba P. Pharmacological correction of misfolding of ABC proteins. (2014) Drug Discovery Today: Technologies, 12, pp. e87-e94; DOI: 10.1016/j.ddtec.2014.03.009; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Chiba P., Freissmuth M., Stockner T. Defining the blanks - Pharmacochaperoning of SLC6 transporters and ABC transporters. (2014) Pharmacological Research, 83, pp. 63 - 73; DOI: 10.1016/j.phrs.2013.11.009; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Singer J., Fazekas J., Wang W., Weichselbaumer M., Matz M., Mader A., Steinfellner W., Meitz S., Mechtcheriakova D., Sobanov Y., Willmann M., Stockner T., Spillner E., Kunert R., Jensen-Jarolim E. Generation of a canine anti-EGFR (ErbB-1) antibody for passive immunotherapy in dog cancer patients. (2014) Molecular Cancer Therapeutics, 13 (7), pp. 1777 - 1790; DOI: 10.1158/1535-7163.MCT-13-0288; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2013

Lichtenegger M., Stockner T., Poteser M., Schleifer H., Platzer D., Romanin C., Groschner K. A novel homology model of TRPC3 reveals allosteric coupling between gate and selectivity filter. (2013) Cell Calcium, 54 (3), pp. 175 - 185; DOI: 10.1016/j.ceca.2013.05.010; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Zayats V., Samad A., Minofar B., Roelofs K.E., Stockner T., Ettrich R. Regulation of the transient receptor potential channel TRPA1 by its N-terminal ankyrin repeat domain. (2013) Journal of Molecular Modeling, 19 (11), pp. 4689 - 4700; DOI: 10.1007/s00894-012-1505-1; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Stockner T., Koschak A. What can naturally occurring mutations tell us about Cav1.x channel function? (2013) Biochimica et Biophysica Acta - Biomembranes, 1828 (7), pp. 1598 - 1607; DOI: 10.1016/j.bbamem.2012.11.026; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Stockner T., Montgomery T.R., Kudlacek O., Weissensteiner R., Ecker G.F., Freissmuth M., Sitte H.H. Mutational Analysis of the High-Affinity Zinc Binding Site Validates a Refined Human Dopamine Transporter Homology Model. (2013) PLoS Computational Biology, 9 (2), e1002909; DOI: 10.1371/journal.pcbi.1002909; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Buchmayer F., Schicker K., Steinkellner T., Geier P., Stübiger G., Hamilton P.J., Jurik A., Stockner T., Yang J.-W., Montgomery T., Holy M., Hofmaier T., Kudlacek O., Matthies H.J.G., Ecker G.F., Bochkov V., Galli A., Boehm S., Sitte H.H. Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate. (2013) Proceedings of the National Academy of Sciences of the United States of America, 110 (28), pp. 11642 - 11647; DOI: 10.1073/pnas.1220552110; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Sucic S., Koban F., El-Kasaby A., Kudlacek O., Stockner T., Sitte H.H., Freissmuth M. Switching the clientele: A lysine residing in the c terminus of the serotonin transporter specifies its preference for the coat protein complex ii component SEC24C. (2013) Journal of Biological Chemistry, 288 (8), pp. 5330 - 5341; DOI: 10.1074/jbc.M112.408237; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Koehbach J., Stockner T., Bergmayr C., Muttenthaler M., Gruber C.W. Insights into the molecular evolution of oxytocin receptor ligand binding. (2013) Biochemical Society Transactions, 41 (1), pp. 197 - 204; DOI: 10.1042/BST20120256; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2012

Bulling S., Schicker K., Zhang Y.-W., Steinkellner T., Stockner T., Gruber C.W., Boehm S., Freissmuth M., Rudnick G., Sitte H.H., Sandtner W. The mechanistic basis for noncompetitive ibogaine inhibition of serotonin and dopamine transporters. (2012) Journal of Biological Chemistry, 287 (22), pp. 18524 - 18534; DOI: 10.1074/jbc.M112.343681; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Schicker K., Uzelac Z., Gesmonde J., Bulling S., Stockner T., Freissmuth M., Boehm S., Rudnick G., Sitte H.H., Sandtner W. Unifying concept of serotonin transporter-associated currents. (2012) Journal of Biological Chemistry, 287 (1), pp. 438 - 445; DOI: 10.1074/jbc.M111.304261; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Singer J., Weichselbaumer M., Stockner T., Mechtcheriakova D., Sobanov Y., Bajna E., Wrba F., Horvat R., Thalhammer J.G., Willmann M., Jensen-Jarolim E. Comparative oncology: ErbB-1 and ErbB-2 homologues in canine cancer are susceptible to cetuximab and trastuzumab targeting. (2012) Molecular Immunology, 50 (4), pp. 200 - 209; DOI: 10.1016/j.molimm.2012.01.002; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2011

Strawn R., Stockner T., Melichercik M., Jin L., Xue W.-F., Carey J., Ettrich R. Synergy of molecular dynamics and isothermal titration calorimetry in studies of allostery. (2011) Methods in Enzymology, 492, pp. 151 - 188; DOI: 10.1016/B978-0-12-381268-1.00017-3; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Parveen Z., Stockner T., Bentele C., Pferschy S., Kraupp M., Freissmuth M., Ecker G.F., Chiba P. Molecular dissection of dual pseudosymmetric solute translocation pathways in human P-glycoprotein. (2011) Molecular Pharmacology, 79 (3), pp. 443 - 452; DOI: 10.1124/mol.110.067611; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Poteser M., Schleifer H., Lichtenegger M., Schernthaner M., Stockner T., Kappe C.O., Glasnov T.N., Romanin C., Groschner K. PKC-dependent coupling of calcium permeation through transient receptor potential canonical 3 (TRPC3) to calcineurin signaling in HL-1 myocytes. (2011) Proceedings of the National Academy of Sciences of the United States of America, 108 (26), pp. 10556 - 10561; DOI: 10.1073/pnas.1106183108; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2010

Plochberger B., Stockner T., Chiantia S., Brameshuber M., Weghuber J., Hermetter A., Schwille P., Schütz G.J. Cholesterol slows down the lateral mobility of an oxidized phospholipid in a supported lipid bilayer. (2010) Langmuir, 26 (22), pp. 17322 - 17329; DOI: 10.1021/la1026202; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Jerabek H., Pabst G., Rappolt M., Stockner T. Membrane-mediated effect on ion channels induced by the anesthetic drug ketamine. (2010) Journal of the American Chemical Society, 132 (23), pp. 7990 - 7997; DOI: 10.1021/ja910843d; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Klepsch F., Stockner T., Erker T., Müller M., Chiba P., Ecker G.F. Using structural and mechanistic information to design novel inhibitors/Substrates of P-Glycoprotein. (2010) Current Topics in Medicinal Chemistry, 10 (17), pp. 1769 - 1774; DOI: 10.2174/156802610792928004; [Journal] [scopus] [PubMed] [EuroPMC] [DOI]

Göbl C., Kosol S., Stockner T., Rückert H.M., Zangger K. Solution structure and membrane binding of the toxin Fst of the par addiction module. (2010) Biochemistry, 49 (31), pp. 6567 - 6575; DOI: 10.1021/bi1005128; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Strawn R., Melichercik M., Green M., Stockner T., Carey J., Ettrich R. Symmetric allosteric mechanism of hexameric Escherichia coli arginine repressor exploits competition between L-arginine ligands and resident arginine residues. (2010) PLoS Computational Biology, 6 (6), pp. 1 - 12; DOI: 10.1371/journal.pcbi.1000801; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Bak A., Polanski J., Stockner T., Kurczyk A. MoStBioDat - Molecular and structural bioinformatics database. (2010) Combinatorial Chemistry and High Throughput Screening, 13 (4), pp. 366 - 374; DOI: 10.2174/138620710791054295; [Journal] [scopus] [PubMed] [EuroPMC] [DOI]

2009

Stockner T., De Vries S.J., Bonvin A.M.J.J., Ecker G.F., Chiba P. Data-driven homology modelling of P-glycoprotein in the ATP-bound state indicates flexibility of the transmembrane domains. (2009) FEBS Journal, 276 (4), pp. 964 - 972; DOI: 10.1111/j.1742-4658.2008.06832.x; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2008

Ecker G.F., Stockner T., Chiba P. Computational models for prediction of interactions with ABC-transporters. (2008) Drug Discovery Today, 13 (7-8), pp. 311 - 317; DOI: 10.1016/j.drudis.2007.12.012; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Chan D.I., Stockner T., Tieleman D.P., Vogel H.J. Molecular dynamics simulations of the apo-, holo-, and acyl-forms of Escherichia coli acyl carrier protein. (2008) Journal of Biological Chemistry, 283 (48), pp. 33620 - 33629; DOI: 10.1074/jbc.M805323200; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2005

Stockner T., Vogel H.J., Tieleman D.P. A salt-bridge motif involved in ligand binding and large-scale domain motions of the maltose-binding protein. (2005) Biophysical Journal, 89 (5), pp. 3362 - 3371; DOI: 10.1529/biophysj.105.069443; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2004

Ash W.L., Stockner T., MacCallum J.L., Tieleman D.P. Computer modeling of polyleucine-based coiled coil dimers in a realistic membrane environment: Insight into helix-helix interactions in membrane proteins. (2004) Biochemistry, 43 (28), pp. 9050 - 9060; DOI: 10.1021/bi0494572; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Stockner T., Ash W.L., MacCallum J.L., Tieleman D.P. Direct simulation of transmembrane helix association: Role of asparagines. (2004) Biophysical Journal, 87 (3), pp. 1650 - 1656; DOI: 10.1529/biophysj.104.045310; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2003

Paier J., Stockner T., Steinreiber A., Faber K., Fabian W.M.F. Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: A 3D QSAR study. (2003) Journal of Computer-Aided Molecular Design, 17 (1), pp. 1 - 11; DOI: 10.1023/A:1024562326498; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

Stockner T., Sterk H., Kaptein R., Bonvin A.M.J.J. Molecular dynamics studies of a molecular switch in the glucocorticoid receptor. (2003) Journal of Molecular Biology, 328 (2), pp. 325 - 334; DOI: 10.1016/S0022-2836(03)00316-4; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

2001

Stockner T., Plugariu C., Koraimann G., Högenauer G., Bermel W., Prytulla S., Sterk H. Solution structure of the DNA-binding domain of TraM. (2001) Biochemistry, 40 (11), pp. 3370 - 3377; DOI: 10.1021/bi002031c; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]

1998

Stockner T., Plugariu C., Sterk H. Combined use of NMR and molecular modelling calculations for the conformational analysis of the TraM headpiece. (1998) Magnetic Resonance in Chemistry, 36 (998), pp. S161-S168; DOI: 10.1002/(sici)1097-458x(199806)36:13<s161::aid-omr308>3.0.co;2-1; [Journal] [scopus] [DOI] [PDF]

Plugariu C., Stockner T., Moskau D., Koraimann G., Högenauer G., Sterk H. Conformational behaviour of the TraM headpiece. (1998) Journal of Peptide Research, 51 (3), pp. 244 - 250; DOI: 10.1111/j.1399-3011.1998.tb01222.x; [Journal] [scopus] [PubMed] [EuroPMC] [DOI] [PDF]