Programme
Insights from structures of signalling complexes and computational modelling on GPCR function
Note that the programme uses Central European Time (CET). If you live outside this time zone, be aware of the time difference for live sessions.
Monday, April 12, 2021
Time (CET)
8:30 - 9:00
Conference Opening
Meeting Chair: Gebhard Schertler (Paul Scherrer Institute)
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ERNEST Update
Chair: Martha Sommer (Charité-Universitätsmedizin Berlin)
Vice-chair: Jana Selent (Pompeu Fabra University Barcelona)
9:00 - 11:00
Session 1: Web-based resources and computational modelling of signal transduction (WG5)
Chairs: David Gloriam (University of Copenhagen) / Jana Selent (University Pompeu Fabra)
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9:00 - 9:30 Lars Juhl Jensen (Novo Nordisk Foundation Center for Protein Research,
University of Copenhagen, Denmark)
'Network Biology - How to create and decipher hairballs'
9:30 - 10:00 Alejandro Giorgetti (Università die Verona, Italy; Forschungszentrum Jülich, Germany)
'Structural Bioinformatics and Multi-scale simulations of GPCRs: It takes two to Tango'
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10:00 - 10:30 Short talks selected from abstracts:
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10:00 - 10:15 Mireia Jiménez Rosés (COMPARE, University of Nottingham and now,
Sygnature Discovery Nottingham, U.K.)
'Prediction of ligand-receptor pharmacological activities using a combined docking and machine learning approach'
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10:15 - 10:30 Célien Jacquemard (University of Strasbourg, Laboratoire Innovation Thérapeutique, Strasbourg, France)
'Modeling of CCR5 recognition by gp120: how the viral protein exploits
the conformational plasticity of the coreceptor'
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10:30 - 11:00 Meet the Speakers and WG5 Networking
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11:00 - 11:15
Break
11:15 - 13:15
Session 2: Advanced methods and technologies in signal transduction research (WG4)
Chairs: Alexey Bondar (Czech Academy of Science) / Maria Majellaro (University of Santiago de Compostela)
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11:15 - 11:45 Davide Calebiro (University of Birmingham, U.K.)
'Single molecule imaging of GPCRs and their effectors'
11:45 - 12:15 Josef Lazar (Institute of Organic Chemistry and Biochemistry Prague, Czech Republic)
'Live-cell imaging of protein structure and function by polarization-resolved
fluorescence microscopy'
12:15 - 12:45 Short talks selected from abstracts:
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12:15 - 12:30 David Sykes (Centre of Membrane Proteins and Receptors (COMPARE), University of Birmingham and University of Nottingham, U.K.)
'Novel Thermo-FRET and BRET-Based Thermostability Assays Applied to GPCRs'
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12:30 - 12:45 Katarina Nemec (Max-Delbrueck-Center for Molecular Medicine, Berlin, Germany)
'Revised PTH1R biosensors with improved assay window enable monitoring of
activation and modulation'
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12:45 - 13:15. Meet the Speakers and WG4 Networking
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13:15 - 14:00
Break
14:00 - 14:30
Session 3: Insights from structures of complexes and computational modeling into GPCR signaling
Chair: Michael Hennig (leadXpro, Villigen, Switzerland)
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Susanne Roth (InterAx, Villigen, Switzerland)
'Integrating systems biology and artificial intelligence to analyze and predict GPCR signaling'
14:30 - 15:00
Session 4: Optogenetics
Chair: Robert Lucas (University of Manchester)
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Akihisa Terakita (Osaka City University, Japan)
'Optogenetic potentials of animal bistable opsins'
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Not recorded upon speaker's request
15:00 - 16:00
Session 5: Poster talks
Chair: Maria Majellaro (University of Santiago de Compostela)
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15:00 - 15:10 András Dávid Tóth (Semmelweis University, Budapest, Hungary)
'A general method for quantifying ligand binding to unmodified receptors using
Gaussia luciferase'
15:10 - 15:20 Ivan Maslov (Moscow Institute of Physics and Technology, Russia)
'Sub-millisecond conformational dynamics of the A2A adenosine receptor revealed by single-molecule FRET'
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15:20 - 15:30 Anna Duran-Corbera (Institut de Química Avançada de Catalunya, Barcelona, Spain)
'Photoswitchable antagonists for a precise spatiotemporal control of β2AR'
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15:30 - 15:40 Claudia Gioé (University of Santiago de Compostela, Spain)
'From cannabinoid designer drugs to selective CB2R agonists'
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15:40 - 15:50 Katrin Denzinger (Freie Universität Berlin, Germany)
'Biased ligands differentially shape the conformation of the extracellular loop region
in 5-HT2B receptors'
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15:50 - 16:00 Alessandro Nicoli (Technical University of Munich, Germany)
'The ECL2 of class A GPCRs: A structural classification'
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16:00 - 16:15
Break
16:15 - 17:45
Session 6: Career development
Chair: Yvonne Müller (Paul Scherrer Institut)
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16:15 - 16:45 Prisca Liberali (Friedrich Miescher Institute for Biomedical Research, Basel, Switzerland)
'Exploring Academic Careers'
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16:45 - 17:15 Peter Reinhardt (Talent Acquisition & Staffing Business Partner Research, Novartis, Basel, Switzerland)
'Beyond academia - Career paths in the pharma industry for
scientists'
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17:15 - 17:45 Gregor Cicchetti (Paul Scherrer Institut, Villigen, Switzerland)
'Understanding scientific publishing - A look on the other side'
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17:45 - 18:00
Break
18:00 - 18:45
Session 7: Keynote Talk
Chair: Gebhard Schertler (Paul Scherrer Institut)
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Bryan Roth (Eshelman School of Pharmacy, University of North Carolina, U.S.)
'Structure-guided discovery: small molecule discovery at G protein coupled receptors (GPCRs)'
18:45 - 20:00
Poster Pesentations - Posters 1 - 20
Live-hosted presentations in Zoom breakout rooms
recommended: Zoom Desktop Client 5.3.0 or higher, Zoom Mobile App, or H.323/SIP device
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No recordings available
9:00 - 11:00
Session 8: Design and optimization of molecular modulators of signal transduction (WG3)
Chairs: Antonella di Pizio / György M. Keserű
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9:00 - 9:30. Dan van der Ees (Universiteit Leiden, The Netherlands)
'Chemical probes for the Adenosine Receptors'
9:30 - 10:00. Maria Majellaro (University of Santiago de Compostela, Spain)
'Innovative chemistry to illuminate biology: Novel fluorescent ligands to study GPCRS binding and signaling'
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10:00 - 10:30. Short talks selected from abstracts
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10:30 - 11:00. Meet the Speakers and WG3 Networking
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11:00 - 11:15
Break
11:15 - 13:15
Session 9: RCPG-Physio-Med Network (GDR3545)
Chairs: Ralf Jockers / Erika Cecon
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11:15 - 11:40. Jean-Philippe Pin (Institute of Functional Genomics (IGF), University of Montpellier, F)
'Structure of signaling complexes of class C GPCRs'
11:40 - 12:05. Chris De Graaf / Stacey Southall (Sosei Heptares, Cambridge, U.K.)
'GPCR Signalling Complexes: From StaR Structural Insights to Structure-Based Drug Discovery'
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12:05 - 12:30. Bernard Mouillac (Institute of Functional Genomics (IGF), University of Montpellier, F)
'Structure of the antidiuretic hormone vasopressin receptor signalling complex'
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12:30 - 12:55. Nicolas Gilles (CEA/DRF, University of Paris-Sacaly, France)
'A snake toxin as a theranostic agent for type 2 vasopressin receptor-related diseases'
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12:55 - 13:15. Meet the Speakers and RCPG-Physio-Med Network (GDR3545) Networking
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13:15 - 14:00
Frontiers Breakout Session
Frontiers and ERNEST research collections
14:00 - 14:30
Session 10: Insights from structures of complexes and computational modeling into GPCR signaling
Chair: TBD
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Ziva Vuckovic (leadXpro, Switzerland)
'Structural insights into the active state of M4 muscarinic receptor'
14:30 - 15:00
Session 11: Optogenetics
Chair: TBD
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Philipp Sasse (Universität Bonn, Germany)
'The enlightened heart: Optogenetic methods to investigate and treat cardiac arrhythmia'
16:00 - 16:15
Break
16:15 - 17:45
Session 13: Mapping Group Session
Introduction
Chairs: Marcel Bermudez and Mariona Torrens
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XX:XX - XX:XX. Group for GRK-dependent signaling
Chair: Marcel Bermudez
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Carsten Hoffmann (University of Jena, Germany)
'Quadruple GRK2/3/5/6 knockout cells: Novel tools to study the influence of GRK subtypes on GPCR/β-arrestin interactions'
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XX:XX - XX:XX. Group for controlling GPCR signaling by small molecular modulators
Chairs: Tomek Stepniewski and Mariona Torrens
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'TBD'
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XX:XX - XX:XX. Group for the signaling map
Chair: Jana Selent
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Irina Moreira (University of Coimbra, Portugal)
'Exploring the GPCR interactome using computational and data-driven approaches'
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XX:XX - XX:XX. Group for the standardisation & best practice for data sharing
Chair: Johanna Tiemann
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17:45 - 18:00
Break
9:00 - 11:00
Session 8: Design and optimization of molecular modulators of signal transduction (WG3)
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Chairs: Antonella di Pizio (Technical University of Munich) / György M. Keserű (Research Center for Natural Sciences)
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9:00 - 9:30 Daan van der Es (Universiteit Leiden, The Netherlands)
'Chemical probes for the Adenosine Receptors'
9:30 - 10:00 Maria Majellaro (University of Santiago de Compostela, Spain)
'Innovative chemistry to illuminate biology: Novel fluorescent ligands to study GPCRS
binding and signaling'
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10:00 - 10:30 Short talks selected from abstracts:
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10:00 - 10:15 Stefanie Kampen (Uppsala University, Sweden)
'Structure-guided Design of G Protein-coupled Receptor Polypharmacology'
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10:15 - 10:30 Jakub Jakowiecki (University of Warsaw, Poland)
'Allosteric modulation of CB 1 cannabinoid receptor by cannabidiol – the molecular
modeling of the allosteric-orthosteric coupling'
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10:30 - 11:00 Meet the Speakers and WG3 Networking
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11:00 - 11:15
Break
11:15 - 13:15
Session 9: RCPG-Physio-Med Network (GDR3545)
Chairs: Ralf Jockers (INSERM) / Erika Cecon (INSERM)
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11:15 - 11:40 Jean-Philippe Pin (Institute of Functional Genomics (IGF), Univ. of Montpellier, France)
'Structural basis for asymmetric dimer activation in class C GPCRs'
11:40 - 12:05 Chris De Graaf / Stacey Southall (Sosei Heptares, Cambridge, U.K.)
'GPCR Signalling Complexes: From StaR Structural Insights to Structure-Based Drug
Discovery'
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12:05 - 12:30 Bernard Mouillac (Institute of Functional Genomics (IGF), Univ. of Montpellier, France)
'Structure of the antidiuretic hormone vasopressin receptor signalling complex'
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12:30 - 12:55 Nicolas Gilles (CEA/DRF, University of Paris-Sacaly, France)
'A snake toxin as a theranostic agent for type 2 vasopressin receptor-related diseases'
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12:55 - 13:15 Meet the Speakers and RCPG-Physio-Med Network (GDR3545) Networking
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13:15 - 14:00
Frontiers Session: Frontiers and ERNEST research collection
Chairs: Emilie Schrepfer (Frontiers) / Ralf Jockers (INSERM)
Milka Vrecl - University of Ljubljana, Slovenia
Marialessandra Contino - University of Bari Aldo Moro, Bari, Italy
Antonella Di Pizio - Technical University Munich, Freising, Germany
Marián Castro - University of Santiago de Compostela, Santiago de Compostela, Spain
Katarina Nikolic - University of Belgrade, Belgrade, Serbia
Ralf Jockers - INSERM, Université de Paris, Paris, France
Emilie Schrepfer - Frontiers Media SA, Lausanne, Switzerland
14:00 - 14:30
Session 10: Insights from structures of complexes and computational modeling into GPCR signaling
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Chair: Emiliya Poghosyan (Paul Scherrer Institut)
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Ziva Vuckovic (leadXpro, Villigen, Switzerland)
'Structural insights into the active state of M4 muscarinic receptor'
14:30 - 15:00
Session 11: Optogenetics
Chair: Dragana Trifunovic (University-Eye-Clinic, Tuebingen)
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Philipp Sasse (Universität Bonn, Germany)
'The enlightened heart: Optogenetic methods to investigate and treat cardiac arrhythmia'
15:00 - 16:00
Session 12: Poster talks
Chair: Maria Mallejaro (University of Santiago de Compostela, Spain)
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15:00 - 15:10 Francesca Intranuovo (Universita degli Studi di Bari, Italy)
'Design, synthesis and biological evaluation of new 4-oxo-1,4-dihydroquinolin-3-adamtilamides derivates to develop CB2R fluorescent probes'
15:10 - 15:20 Edda Matthees (University of Jena, Germany)
'The C-terminus is not enough – Deciphering GRK-mediated β-arrestin recruitment
to the β2-adrenoceptor, the vasopressin V2R, and the β2V2 chimera'
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15:20 - 15:30. Raphael Haider (University of Jena, Germany)
'β-arrestin1 and 2 exhibit distinct conformations when coupling to the same GPCR'
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15:30 - 15:40 Filip Pamula (Paul Scherrer Institut, Villigen / ETH Zürich, Switzerland)
'Structural studies of GPCR-G protein complexes'
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15:40 - 15:50 Diane Barret (Paul Scherrer Institut, Villigen / ETH Zürich, Switzerland)
'Structure of the heterotetrametric cyclic nucleotide-gated channel from retinal rods'
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15:50 - 16:00 Infant Sagayaraj Ravhe D (Indian Institute of Technology, Madras, India)
'Evolutionary history of histamine receptors'
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16:00 - 16:15
Break
16:15 - 17:45
Session 13: Mapping Group Session
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16:15 - 16:25 Opening
Marcel Bermudez (Freie Universität Berlin) and Mariona Torrens (Pompeu Fabra University)
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16:25 - 16:45 Group for GRK-dependent signaling
Chair: Marcel Bermudez (Freie Universität Berlin)
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Carsten Hoffmann (University of Jena, Germany)
'Quadruple GRK2/3/5/6 knockout cells: Novel tools to study the influence of
GRK subtypes on GPCR/β-arrestin interactions'
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16:45 - 17:05 Group for controlling GPCR signaling by small molecular modulators
Chairs: Tomek Stepniewski (Pompeu Fabra University) and Mariona Torrens
(Pompeu Fabra University)
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David Reiner-Link (University of Copenhagen)
'Probe dependent affinities for histamine H3 receptor ligands – a case for secondary
binding sites?'
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17:05 - 17:25 Group for pathway data integration and signaling maps
Chair: Jana Selent (Pompeu Fabra University)
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Irina Moreira (University of Coimbra, Portugal)
'Exploring the GPCR interactome using computational and data-driven approaches'
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17:25 - 17:45 Group for the standardisation & best practice for data sharing
Chair: Johanna Tiemann (University of Copenhagen)
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Peter Kolb (Philipps-University Marburg, Germany)
'Functional Selectivity Committee'
17:45 - 18:00
Break
18:00 - 18:45
Session 14: Keynote Talk
Chair: Stephan Grzesiek (Biozentrum, University of Basel)
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Xavier Deupi (Paul Scherrer Institut, Switzerland)
'Structural determinants of selective protein-protein recognition in GPCR signaling complexes'
18:45 - 19:45
Poster Presentations 21 - 56
Live-hosted presentations in breakout rooms
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recommended: Zoom Desktop Client 5.3.0 or higher, Zoom Mobile App, or H.323/SIP device
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No recordings available
Tuesday, April 13, 2021
Time (CET)
Time (CET)
Wednesday, April 14, 2021
9:00 - 11:00
Session 15: Biological roles of signal transduction (WG2)
Chairs: Necla Birgul Iyison (BoÄŸaziçi University) / Nina Vardjan (University of Ljubljana)
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9:00 - 9:30 Elena Seiradake (University of Oxford, U.K.)
'Molecular mechanisms for combinatorial guidance receptor function'
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9:30 - 10:00 Ozge Sensoy (Istanbul Medipol University, Turkey)
'Phi values provide a mechanistic insight into dynamics of Switch II domain in
G protein activation'
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10:00 - 10:30 Short talks selected from abstracts
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10:00 - 10:15 Max Meyrath (Luxembourg Institute of Health, Luxembourg)
'The atypical chemokine receptor ACKR3/CXCR7 is a broad-spectrum scavenger for
opioid peptides'
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10:15 - 10:30 Dayana Abboud (University of Liège, Belgium)
'GPR101 drives growth hormone hypersecretion and gigantism in mice via constitutive activation of Gs and Gq/11'
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10:30 - 11:00 Meet the Speakers and WG2 Networking
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11:00 - 11:15
Break
11:15 - 13:15
Session 16: Protein dynamics and the macromolecular interactions in signaling pathways (WG1)
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Chairs: Mickey Kosloff (University of Haifa) / Milka Vrecl Fazarinc (University of Ljubljana)
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11:15 - 11:45 Stuart Maudsley (University of Antwerp, Belgium)
'G protein-coupled receptor signaling diversity in aging and disease'
11:45 - 12:15 Aylin Hanyaloglu (Imperial College London, U.K.)
'Targeting GPCR crosstalk in human labour'
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12:15 - 12:35 Short talks selected from abstracts:
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12:15 - 12:25 Antoniel A.S. Gomes (Univ. de Montpellier, France and Univ. Federal do Rio de Janeiro, Brasil)
'Coarse-grained molecular dynamics simulations of GPCRs and their favorite intracellular partners'
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12:25 - 12:35 Yasmin Aydin (Leipzig University Germany)
'Mapping the Interaction of êžµ-arrestin 1 with a Class B GPCR via genetically encoded crosslinkers'
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12:35 - 13:15 Meet the Speakers and WG1 Networking
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13:15 - 14:00
Break
14:00 - 14:30
Session 17: Insights from structures of complexes and computational modeling into GPCR signaling
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Chair: Masha Niv (The Hebrew University of Jerusalem, Israel)
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Ana-Nicoleta Bondar (Freie Universität Berlin, Germany)
'Protonation-Couples Drug Binding to Opioid GPCRs:
"Graph-based algorithms for dynamic h-bond networks and force-field parametrization for protonated opioids"
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14:30 - 15:00
Session 18: Optogenetics
Chair: Slawomir Filipek (University of Warsaw, Poland)
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Sonja Kleinlogel (University of Berne, Switzerland)
'Opto-GPCRs: personalized optogenetics in light of vision restoration and chronic pain treatment'
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15:00 - 16:00
Session 19: Poster talks
Chair: Franziska Marie Heydenreich (Stanford University /MRC LMB)
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15:00 - 15:10 Ilana Kotliar (The Rockefeller University, USA)
'Multiplexed analysis of the secretin-like GPCR-RAMP interactome by suspension
bead array'
15:10 - 15:20 Itziar Muneta-Arrate (University of the Basque Country & CIBERSAM, Bizkaia, Spain)
'Differential G-protein signalling signatures of hallucinogenic and non-hallucinogenic 5-HT2A receptor agonists in post-mortem human brain'
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15:20 - 15:30 Gabriella Collu (Paul Scherrer Institute / ETH Zürich, Switzerland)
'Towards cryo-EM structural studies of class A GPCRs in the inactive state'
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15:30 - 15:40 Philip Rössler (ETH Zürich, Switzerland)
'GPCR activation states and effector interactions studied by NMR spectroscopy'
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15:40 - 15:50 Valérie Panneels (Paul Scherrer Institut, Villigen, Switzerland)
'Mammalian rhodopsin dynamics using an X-ray free electron laser'
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15:50 - 16:00 Adrian Morales-Pastor (Hospital del Mar Medical Research Institute, Barcelona, Spain)
'Prediction of preferential G protein coupling using machine learning algorithms'
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16:00 - 16:15
Break
16:15 - 17:45
Session 20: GPCRdb/GPCRmd
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16:15 - 17:00 GPCRdb - new tools and updates
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David Gloriam (University of Copenhagen): 'Introduction'
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Gaspar P.-Szekeres (University of Copenhagen): 'G protein research platform news'
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Albert Kooistra (University of Copenhagen): 'Structure analysis resource (all new)'
17:00 - 17:45 GPCRmd updates
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Jana Selent (Pompeu Fabra University): 'Introduction'
Mariona Torrens (Pompeu Fabra University): 'GPCRmd updates'
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Brian Medel (Instituto Hospital del Mar de Investigaciones Médicas): 'GPCRmeta - molecular and energetic insights into ligand (un)binding '
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Jana Selent (Pompeu Fabra University): 'Progression of the 2nd simulation round'
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17:45 - 18:00
Break
18:00 - 18:45
Session 21: Keynote Talk
Chair: Peter Hegemann (Humboldt Universität zu Berlin)
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Evi Kostenis (University of Bonn, Germany)
'Concepts and paradigms in GPCR signal transduction: Afraid of a change or ready for the next chapter?'
18:45 - 19:15
Conference Closing & Prizes
Chairs: Martha Sommer (Charité-Universitätsmedizin Berlin) / Gebhard Schertler (Paul Scherrer Institute)
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