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)

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)

 

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'

10:00 - 10:30 Short talks selected from abstracts:

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'

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'

10:30 - 11:00  Meet the Speakers and WG5 Networking

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)

 

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:

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'

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'

12:45 - 13:15. Meet the Speakers and WG4 Networking

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)

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)

Akihisa Terakita (Osaka City University, Japan)

'Optogenetic potentials of animal bistable opsins'

 

Not recorded upon speaker's request

15:00 - 16:00

Session 5: Poster talks

Chair: Maria Majellaro (University of Santiago de Compostela)

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'

15:20 - 15:30  Anna Duran-Corbera (Institut de Química Avançada de Catalunya, Barcelona, Spain)

    'Photoswitchable antagonists for a precise spatiotemporal control of β2AR'

15:30 - 15:40  Claudia Gioé (University of Santiago de Compostela, Spain)

    'From cannabinoid designer drugs to selective CB2R agonists'

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'

15:50 - 16:00  Alessandro Nicoli (Technical University of Munich, Germany)

    'The ECL2 of class A GPCRs: A structural classification'

16:00 - 16:15

Break

16:15 - 17:45

Session 6: Career development

Chair: Yvonne Müller (Paul Scherrer Institut)

 

 

16:15 - 16:45  Prisca Liberali (Friedrich Miescher Institute for Biomedical                           Research, Basel, Switzerland)

   'Exploring Academic Careers'

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'

17:15 - 17:45  Gregor Cicchetti (Paul Scherrer Institut, Villigen, Switzerland)

   'Understanding scientific publishing - A look on the other side'

Management Committee Meeting

Monday 12 April 16:15 - 17:45

 

For MC members only!

separate password required

17:45 - 18:00

Break

18:00 - 18:45

Session 7: Keynote Talk

Chair: Gebhard Schertler (Paul Scherrer Institut)

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

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

 

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'

10:00 - 10:30. Short talks selected from abstracts 

10:30 - 11:00. Meet the Speakers and WG3 Networking

11:00 - 11:15

Break

11:15 - 13:15

Session 9: RCPG-Physio-Med Network (GDR3545)

Chairs: Ralf Jockers / Erika Cecon

 

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'

12:05 - 12:30. Bernard Mouillac (Institute of Functional Genomics (IGF), University of Montpellier, F)

'Structure of the antidiuretic hormone vasopressin receptor signalling complex'

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'

12:55 - 13:15. Meet the Speakers and RCPG-Physio-Med Network (GDR3545) Networking

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

                 Ziva Vuckovic (leadXpro, Switzerland)

'Structural insights into the active state of M4 muscarinic receptor'

 

14:30 - 15:00

Session 11: Optogenetics

Chair: TBD

                 Philipp Sasse (Universität Bonn, Germany)

'The enlightened heart: Optogenetic methods to investigate and treat cardiac arrhythmia'

 

15:00 - 16:00

Session 12: Poster talks

Chairs: TBD

15:00 - 15:10. TBD

'TBD'

  

15:10 - 15:20. TBD

'TBD'

15:20 - 15:30. TBD

'TBD'

15:30 - 15:40. TBD

'TBD'

15:40 - 15:50. TBD

'TBD'

15:50 - 16:00. TBD

'TBD'

16:00 - 16:15

Break

16:15 - 17:45

Session 13: Mapping Group Session

Introduction

Chairs: Marcel Bermudez and Mariona Torrens

 

XX:XX - XX:XX. Group for GRK-dependent signaling

Chair: Marcel Bermudez

                     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'

XX:XX - XX:XX. Group for controlling GPCR signaling by small molecular modulators

Chairs: Tomek Stepniewski and Mariona Torrens

                     Speaker: TBD

'TBD'

XX:XX - XX:XX. Group for the signaling map

Chair: Jana Selent

                     Irina Moreira (University of Coimbra, Portugal)

'Exploring the GPCR interactome using computational and data-driven approaches'

XX:XX - XX:XX. Group for the standardisation & best practice for data sharing

Chair: Johanna Tiemann

17:45 - 18:00

Break

9:00 - 11:00

Session 8: Design and optimization of molecular modulators of signal transduction (WG3)

Chairs: Antonella di Pizio (Technical University of Munich) / György M. Keserű (Research Center for Natural Sciences)

 

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'

10:00 - 10:30  Short talks selected from abstracts:

10:00 - 10:15     Stefanie Kampen (Uppsala University, Sweden)

    'Structure-guided Design of G Protein-coupled Receptor Polypharmacology'

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'

10:30 - 11:00  Meet the Speakers and WG3 Networking

11:00 - 11:15

Break

11:15 - 13:15

Session 9: RCPG-Physio-Med Network (GDR3545)

Chairs: Ralf Jockers (INSERM) / Erika Cecon (INSERM) 

 

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'

12:05 - 12:30  Bernard Mouillac (Institute of Functional Genomics (IGF), Univ. of Montpellier, France)

    'Structure of the antidiuretic hormone vasopressin receptor signalling complex'

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'

12:55 - 13:15  Meet the Speakers and RCPG-Physio-Med Network (GDR3545) Networking

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

Chair: Emiliya Poghosyan (Paul Scherrer Institut)

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)

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)

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'

15:20 - 15:30. Raphael Haider (University of Jena, Germany)

    'β-arrestin1 and 2 exhibit distinct conformations when coupling to the same GPCR'

15:30 - 15:40  Filip Pamula (Paul Scherrer Institut, Villigen / ETH Zürich, Switzerland)

    'Structural studies of GPCR-G protein complexes'

15:40 - 15:50  Diane Barret (Paul Scherrer Institut, Villigen / ETH Zürich, Switzerland)

    'Structure of the heterotetrametric cyclic nucleotide-gated channel from retinal rods'

15:50 - 16:00  Infant Sagayaraj Ravhe D (Indian Institute of Technology, Madras, India)

    'Evolutionary history of histamine receptors'

16:00 - 16:15

Break

16:15 - 17:45

Session 13: Mapping Group Session 

16:15 - 16:25  Opening

                       Marcel Bermudez (Freie Universität Berlin) and Mariona Torrens (Pompeu Fabra University)

16:25 - 16:45 Group for GRK-dependent signaling

    Chair: Marcel Bermudez (Freie Universität Berlin)

             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'

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)

                      David Reiner-Link (University of Copenhagen)

    'Probe dependent affinities for histamine H3 receptor ligands – a case for secondary 

    binding sites?'

17:05 - 17:25  Group for pathway data integration and signaling maps

     Chair: Jana Selent (Pompeu Fabra University)

                       Irina Moreira (University of Coimbra, Portugal)

     'Exploring the GPCR interactome using computational and data-driven approaches'

17:25 - 17:45  Group for the standardisation & best practice for data sharing 

      Chair: Johanna Tiemann (University of Copenhagen)

                   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)

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

recommendedZoom Desktop Client 5.3.0 or higher, Zoom Mobile App, or H.323/SIP device

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 (Boğaziçi University) / Nina Vardjan (University of Ljubljana)

9:00 - 9:30   Elena Seiradake (University of Oxford, U.K.)

   'Molecular mechanisms for combinatorial guidance receptor function'

 

 

 

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'

10:00 - 10:30 Short talks selected from abstracts 

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'

 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'

10:30 - 11:00  Meet the Speakers and WG2 Networking

11:00 - 11:15

Break

11:15 - 13:15

Session 16: Protein dynamics and the macromolecular interactions in signaling pathways (WG1)

Chairs: Mickey Kosloff (University of Haifa) / Milka Vrecl Fazarinc (University of Ljubljana)

 

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'

12:15 - 12:35 Short talks selected from abstracts:

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'

12:25 - 12:35   Yasmin Aydin (Leipzig University Germany) 

                  'Mapping the Interaction of ꞵ-arrestin 1 with a Class B GPCR via genetically encoded                           crosslinkers'

12:35 - 13:15 Meet the Speakers and WG1 Networking

13:15 - 14:00

Break

14:00 - 14:30

Session 17: Insights from structures of complexes and computational modeling into GPCR signaling

Chair: Masha Niv (The Hebrew University of Jerusalem, Israel)

 

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"

14:30 - 15:00

Session 18: Optogenetics

Chair: Slawomir Filipek (University of Warsaw, Poland)

 

Sonja Kleinlogel (University of Berne, Switzerland)

'Opto-GPCRs: personalized optogenetics in light of vision restoration and chronic pain treatment'

15:00 - 16:00

Session 19: Poster talks

Chair: Franziska Marie Heydenreich (Stanford University /MRC LMB)

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'

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'

15:30 - 15:40  Philip Rössler (ETH Zürich, Switzerland)

    'GPCR activation states and effector interactions studied by NMR spectroscopy'

15:40 - 15:50  Valérie Panneels (Paul Scherrer Institut, Villigen, Switzerland)

    'Mammalian rhodopsin dynamics using an X-ray free electron laser'

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'

16:00 - 16:15

Break

16:15 - 17:45

Session 20: GPCRdb/GPCRmd

 

16:15 - 17:00  GPCRdb - new tools and updates

    David Gloriam (University of Copenhagen): 'Introduction'

                    Gaspar P.-Szekeres (University of Copenhagen): 'G protein research platform news'

                   Albert Kooistra (University of Copenhagen): 'Structure analysis resource (all new)'

 

17:00 - 17:45  GPCRmd updates

   Jana Selent (Pompeu Fabra University): 'Introduction' 

  

   Mariona Torrens (Pompeu Fabra University): 'GPCRmd updates'

                    Brian Medel (Instituto Hospital del Mar de Investigaciones Médicas): 'GPCRmeta -                           molecular and energetic insights into ligand (un)binding '

                   Jana Selent (Pompeu Fabra University): 'Progression of the 2nd simulation round'

17:45 - 18:00

Break

18:00 - 18:45

Session 21: Keynote Talk

Chair: Peter Hegemann (Humboldt Universität zu Berlin)

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)

 

©2021 by Fourth ERNEST Meeting: Insights from structures of signalling complexes and computational modelling on GPCR function

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