Works matching AU Stockner, Thomas

Results: 48

Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter.

Published in:

Molecular Informatics, 2017, v. 36, n. 5/6, p. n/a, doi. 10.1002/minf.201600094

By:

Seddik, Amir;
Geerke, Daan P.;
Stockner, Thomas;
Holy, Marion;
Kudlacek, Oliver;
Cozzi, Nicholas V.;
Ruoho, Arnold E.;
Sitte, Harald H.;
Ecker, Gerhard F.

Publication type:

Article

Insights into binding events of GABA- and Tiagabine- analogues in the Gamma- Aminobutyric Acid Transporter 1 by means of Molecular Modelling.

Published in:

2012

By:

Zdrazil, Barbara;
Jurik, Andreas;
Reicherstorfer, Regina;
Stockner, Thomas;
Sitte, Harald H.;
Ecker, Gerhard F.

Publication type:

Abstract

Sodium Binding Stabilizes the Outward-Open State of SERT by Limiting Bundle Domain Motions.

Published in:

Cells (2073-4409), 2022, v. 11, n. 2, p. 255, doi. 10.3390/cells11020255

By:

Szöllősi, Dániel;
Stockner, Thomas

Publication type:

Article

The role of the degenerate nucleotide binding site in type I ABC exporters.

Published in:

FEBS Letters, 2020, v. 594, n. 23, p. 3815, doi. 10.1002/1873-3468.13997

By:

Stockner, Thomas;
Gradisch, Ralph;
Schmitt, Lutz

Publication type:

Article

Picky ABCG5/G8 and promiscuous ABCG2 ‐ a tale of fatty diets and drug toxicity.

Published in:

FEBS Letters, 2020, v. 594, n. 23, p. 4035, doi. 10.1002/1873-3468.13938

By:

Khunweeraphong, Narakorn;
Mitchell‐White, James;
Szöllősi, Dániel;
Hussein, Toka;
Kuchler, Karl;
Kerr, Ian D.;
Stockner, Thomas;
Lee, Jyh‐Yeuan

Publication type:

Article

Regulation of the transient receptor potential channel TRPA1 by its N-terminal ankyrin repeat domain.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 11, p. 4689, doi. 10.1007/s00894-012-1505-1

By:

Zayats, Vasilina;
Samad, Abdul;
Minofar, Babak;
Roelofs, Katherine;
Stockner, Thomas;
Ettrich, Rudiger

Publication type:

Article

Data-driven homology modelling of P-glycoprotein in the ATP-bound state indicates flexibility of the transmembrane domains.

Published in:

FEBS Journal, 2009, v. 276, n. 4, p. 964, doi. 10.1111/j.1742-4658.2008.06832.x

By:

Stockner, Thomas;
de Vries, Sjoerd J.;
Bonvin, Alexandre M. J. J.;
Ecker, Gerhard F.;
Chiba, Peter

Publication type:

Article

The Environment Shapes the Inner Vestibule of LeuT.

Published in:

PLoS Computational Biology, 2016, v. 12, n. 11, p. 1, doi. 10.1371/journal.pcbi.1005197

By:

Sohail, Azmat;
Jayaraman, Kumaresan;
Venkatesan, Santhoshkannan;
Gotfryd, Kamil;
Daerr, Markus;
Gether, Ulrik;
Loland, Claus J.;
Wanner, Klaus T.;
Freissmuth, Michael;
Sitte, Harald H.;
Sandtner, Walter;
Stockner, Thomas

Publication type:

Article

Active transport of rhodamine 123 by the human multidrug transporter P-glycoprotein involves two independent outer gates.

Published in:

Pharmacology Research & Perspectives, 2020, v. 8, n. 2, p. 1, doi. 10.1002/prp2.572

By:

Nasim, Fauzia;
Schmid, Diethart;
Szakács, Gergely;
Sohail, Azmat;
Sitte, Harald H.;
Chiba, Peter;
Stockner, Thomas

Publication type:

Article

Investigating the Mechanism of Sodium Binding to SERT Using Direct Simulations.

Published in:

Frontiers in Cellular Neuroscience, 2021, v. 15, p. N.PAG, doi. 10.3389/fncel.2021.673782

By:

Szöllősi, Dániel;
Stockner, Thomas

Publication type:

Article

The Bile Salt Export Pump: Molecular Structure, Study Models and Small-Molecule Drugs for the Treatment of Inherited BSEP Deficiencies.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 2, p. 784, doi. 10.3390/ijms22020784

By:

Sohail, Muhammad Imran;
Dönmez-Cakil, Yaprak;
Szöllősi, Dániel;
Stockner, Thomas;
Chiba, Peter

Publication type:

Article

Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: a 3D QSAR Study.

Published in:

Journal of Computer-Aided Molecular Design, 2003, v. 17, n. 1, p. 1, doi. 10.1023/A:1024562326498

By:

Paier, Joachim;
Stockner, Thomas;
Steinreiber, Andreas;
Faber, Kurt;
Fabian, Walter M.F.

Publication type:

Article

Structural basis of organic cation transporter-3 inhibition.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-34284-8

By:

Khanppnavar, Basavraj;
Maier, Julian;
Herborg, Freja;
Gradisch, Ralph;
Lazzarin, Erika;
Luethi, Dino;
Yang, Jae-Won;
Qi, Chao;
Holy, Marion;
Jäntsch, Kathrin;
Kudlacek, Oliver;
Schicker, Klaus;
Werge, Thomas;
Gether, Ulrik;
Stockner, Thomas;
Korkhov, Volodymyr M.;
Sitte, Harald H.

Publication type:

Article

Structural basis of organic cation transporter-3 inhibition.

Published in:

Nature Communications, 2022, v. 13, p. 1, doi. 10.1038/s41467-022-34284-8

By:

Khanppnavar, Basavraj;
Maier, Julian;
Herborg, Freja;
Gradisch, Ralph;
Lazzarin, Erika;
Luethi, Dino;
Yang, Jae-Won;
Qi, Chao;
Holy, Marion;
Jäntsch, Kathrin;
Kudlacek, Oliver;
Schicker, Klaus;
Werge, Thomas;
Gether, Ulrik;
Stockner, Thomas;
Korkhov, Volodymyr M.;
Sitte, Harald H.

Publication type:

Article

The Amino Terminus of LeuT Changes Conformation in an Environment Sensitive Manner.

Published in:

Neurochemical Research, 2020, v. 45, n. 6, p. 1387, doi. 10.1007/s11064-019-02928-9

By:

Khan, Jawad A.;
Sohail, Azmat;
Jayaraman, Kumaresan;
Szöllősi, Dániel;
Sandtner, Walter;
Sitte, Harald H.;
Stockner, Thomas

Publication type:

Article

Probing binding and occlusion of substrate in the human creatine transporter‐1 by computation and mutagenesis.

Published in:

Protein Science: A Publication of the Protein Society, 2024, v. 33, n. 1, p. 1, doi. 10.1002/pro.4842

By:

Clarke, Amy;
Farr, Clemens V.;
El‐Kasaby, Ali;
Szöllősi, Daniel;
Freissmuth, Michael;
Sucic, Sonja;
Stockner, Thomas

Publication type:

Article

ABC transporters of Fasciola hepatica as putative drug targets.

Published in:

2011

By:

El-Kasaby, Ali;
Stockner, Thomas;
Kudlacek, Oliver

Publication type:

Abstract

LRET-based intramolecular distance measurements in LeuTAa.

Published in:

2011

By:

Sohail, Azmat;
Stolt-Bergner, Peggy;
Ecker, Gerhard F;
Freissmuth, Michael;
Stockner, Thomas;
Sitte, Harald H;
Sandtner, Walter

Publication type:

Abstract

Conformation of membrane-inserted P-glycoprotein.

Published in:

2010

By:

Stockner, Thomas;
Sitte, Harald H.;
Chiba, Peter

Publication type:

Abstract

Molecular engineering of the TRPC3 pore structure identifies Ca2+ permeation through TRPC3 channels as a key determinant of cardiac calcineurin/NFAT signaling.

Published in:

2010

By:

Lichtenegger, Michaela;
Schleifer, Hannes;
Stockner, Thomas;
Romanin, Christoph;
Poteser, Michael;
Groschner, Klaus

Publication type:

Abstract

'Second-Generation' Mephedrone Analogs, 4-MEC and 4-MePPP, Differentially Affect Monoamine Transporter Function.

Published in:

Neuropsychopharmacology, 2015, v. 40, n. 6, p. 1321, doi. 10.1038/npp.2014.325

By:

Saha, Kusumika;
Partilla, John S;
Lehner, Kurt R;
Seddik, Amir;
Stockner, Thomas;
Holy, Marion;
Sandtner, Walter;
Ecker, Gerhard F;
Sitte, Harald H;
Baumann, Michael H

Publication type:

Article

Evidence for a Role of Transporter-Mediated Currents in the Depletion of Brain Serotonin Induced by Serotonin Transporter Substrates.

Published in:

Neuropsychopharmacology, 2014, v. 39, n. 6, p. 1355, doi. 10.1038/npp.2013.331

By:

Baumann, Michael H;
Bulling, Simon;
Benaderet, Tova S;
Saha, Kusumika;
Ayestas, Mario A;
Partilla, John S;
Ali, Syed F;
Stockner, Thomas;
Rothman, Richard B;
Sandtner, Walter;
Sitte, Harald H

Publication type:

Article

Conversion of chemical to mechanical energy by the nucleotide binding domains of ABCB1.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-59403-7

By:

Szöllősi, Dániel;
Chiba, Peter;
Szakacs, Gergely;
Stockner, Thomas

Publication type:

Article

Ligand coupling mechanism of the human serotonin transporter differentiates substrates from inhibitors.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-023-44637-6

By:

Gradisch, Ralph;
Schlögl, Katharina;
Lazzarin, Erika;
Niello, Marco;
Maier, Julian;
Mayer, Felix P.;
Alves da Silva, Leticia;
Skopec, Sophie M. C.;
Blakely, Randy D.;
Sitte, Harald H.;
Mihovilovic, Marko D.;
Stockner, Thomas

Publication type:

Article

Bioisosteric analogs of MDMA: Improving the pharmacological profile?

Published in:

Journal of Neurochemistry, 2024, v. 168, n. 9, p. 2022, doi. 10.1111/jnc.16149

By:

Alberto‐Silva, Ana Sofia;
Hemmer, Selina;
Bock, Hailey A.;
da Silva, Leticia Alves;
Scott, Kenneth R.;
Kastner, Nina;
Bhatt, Manan;
Niello, Marco;
Jäntsch, Kathrin;
Kudlacek, Oliver;
Bossi, Elena;
Stockner, Thomas;
Meyer, Markus R.;
McCorvy, John D.;
Brandt, Simon D.;
Kavanagh, Pierce;
Sitte, Harald H.

Publication type:

Article

Free energy profile of the substrate‐induced occlusion of the human serotonin transporter.

Published in:

Journal of Neurochemistry, 2024, v. 168, n. 9, p. 1993, doi. 10.1111/jnc.16061

By:

Alves da Silva, Leticia;
Lazzarin, Erika;
Gradisch, Ralph;
Clarke, Amy;
Stockner, Thomas

Publication type:

Article

SLC6 transporter oligomerization.

Published in:

Journal of Neurochemistry, 2021, v. 157, n. 4, p. 919, doi. 10.1111/jnc.15145

By:

Jayaraman, Kumaresan;
Das, Anand K.;
Luethi, Dino;
Szöllősi, Dániel;
Schütz, Gerhard J.;
Reith, Maarten E. A.;
Sitte, Harald H.;
Stockner, Thomas

Publication type:

Article

A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5303, doi. 10.1002/chem.201704655

By:

Hunter, Thérèse;
Bonetta, Rosalin;
Sacco, Anthony;
Vella, Marita;
Sultana, Paul‐Michael;
Trinh, Chi H.;
Fadia, Hava B. R.;
Borowski, Tomasz;
Garcia‐Fandiño, Rebeca;
Stockner, Thomas;
Hunter, Gary J.

Publication type:

Article

Exploring TRPC3 Interaction with Cholesterol through Coarse-Grained Molecular Dynamics Simulations.

Published in:

Biomolecules (2218-273X), 2022, v. 12, n. 7, p. N.PAG, doi. 10.3390/biom12070890

By:

Clarke, Amy;
Groschner, Klaus;
Stockner, Thomas

Publication type:

Article

Characterization of DAG Binding to TRPC Channels by Target-Dependent cis–trans Isomerization of OptoDArG.

Published in:

Biomolecules (2218-273X), 2022, v. 12, n. 6, p. 799, doi. 10.3390/biom12060799

By:

Erkan-Candag, Hazel;
Krivic, Denis;
Gsell, Mathias A. F.;
Aleksanyan, Mina;
Stockner, Thomas;
Dimova, Rumiana;
Tiapko, Oleksandra;
Groschner, Klaus

Publication type:

Article

Direct PIP2 binding mediates stable oligomer formation of the serotonin transporter.

Published in:

Nature Communications, 2017, v. 8, n. 1, p. 14089, doi. 10.1038/ncomms14089

By:

Anderluh, Andreas;
Hofmaier, Tina;
Klotzsch, Enrico;
Kudlacek, Oliver;
Stockner, Thomas;
Sitte, Harald H.;
Schütz, Gerhard J.

Publication type:

Article

Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site.

Published in:

PLoS Computational Biology, 2015, v. 11, n. 10, p. 1, doi. 10.1371/journal.pcbi.1004551

By:

Venkatesan, SanthoshKannan;
Saha, Kusumika;
Sohail, Azmat;
Sandtner, Walter;
Freissmuth, Michael;
Ecker, Gerhard F.;
Sitte, Harald H.;
Stockner, Thomas

Publication type:

Article

Mutational Analysis of the High-Affinity Zinc Binding Site Validates a Refined Human Dopamine Transporter Homology Model.

Published in:

PLoS Computational Biology, 2013, v. 9, n. 2, p. 1, doi. 10.1371/journal.pcbi.1002909

By:

Stockner, Thomas;
Montgomery, Therese R.;
Kudlacek, Oliver;
Weissensteiner, Rene;
Ecker, Gerhard F.;
Freissmuth, Michael;
Sitte, Harald H.

Publication type:

Article

Symmetric Allosteric Mechanism of Hexameric Escherichia coli Arginine Repressor Exploits Competition between L-Arginine Ligands and Resident Arginine Residues.

Published in:

PLoS Computational Biology, 2010, v. 6, n. 6, p. 1, doi. 10.1371/journal.pcbi.1000801

By:

Strawn, Rebecca;
Melichercik, Milan;
Green, Michael;
Stockner, Thomas;
Carey, Jannette;
Ettrich, Rüdiger

Publication type:

Article

Nanopharmacological Force Sensing to Reveal Allosteric Coupling in Transporter Binding Sites.

Published in:

Angewandte Chemie, 2016, v. 128, n. 5, p. 1751, doi. 10.1002/ange.201508755

By:

Zhu, Rong;
Sinwel, Doris;
Hasenhuetl, Peter S.;
Saha, Kusumika;
Kumar, Vivek;
Zhang, Peng;
Rankl, Christian;
Holy, Marion;
Sucic, Sonja;
Kudlacek, Oliver;
Karner, Andreas;
Sandtner, Walter;
Stockner, Thomas;
Gruber, Hermann J.;
Freissmuth, Michael;
Newman, Amy Hauck;
Sitte, Harald H.;
Hinterdorfer, Peter

Publication type:

Article

Lanthanide resonance energy transfer‐based distance measurements in the mammalian glutamate transporter excitatory amino acid transporter 3 (1064.12).

Published in:

FASEB Journal, 2014, v. 28, p. N.PAG, doi. 10.1096/fasebj.28.1_supplement.1064.12

By:

Saha, Kusumika;
Venkatesan, Santhosh;
Sohail, Azmat;
Stockner, Thomas;
Sandtner, Walter;
Ecker, Gerhard;
Sitte, Harald

Publication type:

Article

Human ABCB1 with an ABCB11-like degenerate nucleotide binding site maintains transport activity by avoiding nucleotide occlusion.

Published in:

PLoS Genetics, 2020, v. 16, n. 10, p. 1, doi. 10.1371/journal.pgen.1009016

By:

Goda, Katalin;
Dönmez-Cakil, Yaprak;
Tarapcsák, Szabolcs;
Szalóki, Gábor;
Szöllősi, Dániel;
Parveen, Zahida;
Türk, Dóra;
Szakács, Gergely;
Chiba, Peter;
Stockner, Thomas

Publication type:

Article

Dopamine transporter oligomerization involves the scaffold domain, but spares the bundle domain.

Published in:

PLoS Computational Biology, 2018, v. 14, n. 6, p. 1, doi. 10.1371/journal.pcbi.1006229

By:

Jayaraman, Kumaresan;
Morley, Alex N.;
Szöllősi, Daniel;
Wassenaar, Tjerk A.;
Sitte, Harald H.;
Stockner, Thomas

Publication type:

Article

Nucleotide binding is the critical regulator of ABCG2 conformational transitions.

Published in:

eLife, 2023, p. 1, doi. 10.7554/eLife.83976

By:

Gyöngy, Zsuzsanna;
Mocsár, Gábor;
Hegedűs, Éva;
Stockner, Thomas;
Ritter, Zsuzsanna;
Homolya, László;
Schamberger, Anita;
Orbán, Tamás I.;
Remenyik, Judit;
Szakacs, Gergely;
Goda, Katalin

Publication type:

Article

Saturation transfer difference NMR on the integral trimeric membrane transport protein GltPh determines cooperative substrate binding.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-73443-z

By:

Hall, Jenny L.;
Sohail, Azmat;
Cabrita, Eurico J.;
Macdonald, Colin;
Stockner, Thomas;
Sitte, Harald H.;
Angulo, Jesus;
MacMillan, Fraser

Publication type:

Article

A comparative review on the well-studied GAT1 and the understudied BGT-1 in the brain.

Published in:

Frontiers in Physiology, 2023, p. 1, doi. 10.3389/fphys.2023.1145973

By:

Bhatt, Manan;
Gauthier-Manuel, Laure;
Lazzarin, Erika;
Zerlotti, Rocco;
Ziegler, Christine;
Bazzone, Andre;
Stockner, Thomas;
Bossi, Elena

Publication type:

Article

Phosphatidylinositol 4,5-bisphosphate (PIP2) facilitates norepinephrine transporter dimerization and modulates substrate efflux.

Published in:

Communications Biology, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42003-022-04210-1

By:

Luethi, Dino;
Maier, Julian;
Rudin, Deborah;
Szöllősi, Dániel;
Angenoorth, Thomas J. F.;
Stankovic, Stevan;
Schittmayer, Matthias;
Burger, Isabella;
Yang, Jae-Won;
Jaentsch, Kathrin;
Holy, Marion;
Das, Anand Kant;
Brameshuber, Mario;
Camacho-Hernandez, Gisela Andrea;
Casiraghi, Andrea;
Newman, Amy Hauck;
Kudlacek, Oliver;
Birner-Gruenberger, Ruth;
Stockner, Thomas;
Schütz, Gerhard J.

Publication type:

Article

Nanopharmacological Force Sensing to Reveal Allosteric Coupling in Transporter Binding Sites.

Published in:

Angewandte Chemie International Edition, 2016, v. 55, n. 5, p. 1719, doi. 10.1002/anie.201508755

By:

Zhu, Rong;
Sinwel, Doris;
Hasenhuetl, Peter S.;
Saha, Kusumika;
Kumar, Vivek;
Zhang, Peng;
Rankl, Christian;
Holy, Marion;
Sucic, Sonja;
Kudlacek, Oliver;
Karner, Andreas;
Sandtner, Walter;
Stockner, Thomas;
Gruber, Hermann J.;
Freissmuth, Michael;
Hauck Newman, Amy;
Sitte, Harald H.;
Hinterdorfer, Peter

Publication type:

Article

Diacylglycerols interact with the L2 lipidation site in TRPC3 to induce a sensitized channel state.

Published in:

EMBO Reports, 2022, v. 23, n. 7, p. 1, doi. 10.15252/embr.202154276

By:

Erkan‐Candag, Hazel;
Clarke, Amy;
Tiapko, Oleksandra;
Gsell, Mathias AF;
Stockner, Thomas;
Groschner, Klaus

Publication type:

Article

The ABCG2 multidrug transporter is a pump gated by a valve and an extracellular lid.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-13302-2

By:

Khunweeraphong, Narakorn;
Szöllősi, Daniel;
Stockner, Thomas;
Kuchler, Karl

Publication type:

Article

Investigating the dynamic nature of the ABC transporters: ABCB1 and MsbA as examples for the potential synergies of MD theory and EPR applications.

Published in:

Biochemical Society Transactions, 2015, v. 43, n. 5, p. 1023, doi. 10.1042/BST20150138

By:

Stockner, Thomas;
Mullen, Anna;
MacMillan, Fraser

Publication type:

Article

Insights into the molecular evolution of oxytocin receptor ligand binding.

Published in:

Biochemical Society Transactions, 2013, v. 41, n. 1, p. 197, doi. 10.1042/BST20120256

By:

Koehbach, Johannes;
Stockner, Thomas;
Bergmayr, Christian;
Muttenthaler, Markus;
Gruber, Christian W.

Publication type:

Article

Unveiling the crucial role of betaine: modulation of GABA homeostasis via SLC6A1 transporter (GAT1).

Published in:

Cellular & Molecular Life Sciences, 2024, v. 81, n. 1, p. 1, doi. 10.1007/s00018-024-05309-w

By:

Bhatt, Manan;
Lazzarin, Erika;
Alberto-Silva, Ana Sofia;
Domingo, Guido;
Zerlotti, Rocco;
Gradisch, Ralph;
Bazzone, Andre;
Sitte, Harald H.;
Stockner, Thomas;
Bossi, Elena

Publication type:

Article