Connecting EPR, ssnmr and DNP for the Study of complex Biomolecules
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1 International Symposium Connecting EPR, ssnmr and DNP for the Study of complex Biomolecules Schloss Ringberg, Schlossstraße 20, Kreuth, Germany, Tagungsstätte der Max-Planck-Gesellschaft ( December 14 th -17 th 2016 Organizers Clemens Glaubitz, Goethe University Frankfurt Wolfgang Lubitz, MPI for Chemical Energy Conversion, Mülheim an der Ruhr Heinz-Jürgen Steinhoff, Osnabrueck University Fraser MacMillan, University of East Anglia Conference Administration Simone Kobylka, Goethe University Frankfurt We are grateful for the financial support provided by DFG, Fonds der Chemischen Industrie, COST Action CM1306 Understanding Movement and Mechanism in Molecular Machines, BMRZ and Max Planck Society. 1
2 Program Overview Time Wed Thu Fri Sat :00 Breakfast Breakfast Breakfast 08:30 09:00 Goldfarb Linser 09:30 Jeschke Lewandowski Departure 10:00 Bordignon Heise 10:30 Coffee Coffee 11:00 Polenova Reif 11:30 Kaupp Carlomagno 12:00 Kuprov Buntkowsky 12:30 13:00 13:30 14:00 Lunch Watts Lunch Baldus 14:30 Mao Joseph Arrival Poster Flash Etzkorn 15:30 Coffee Talks Yang (*) 16:00 Opening Coffee Coffee 16:30 Prisner Weber 17:00 Lelli Poster Klose 17:30 Guided Savitsky 18:00 Tour Blank 18:30 19:00 Dinner Dinner Bavarian Evening 19:30 Corzilius 20:00 Kaushik (*) Kaur (*) Matysik 20:30 Grubmüller van Doorslaer Griffin 21:00 Get-together Conclusions 21:30 Get-together Career panel Get-together (*) Promoted talks 2
3 Wednesday, :00-16:00 Arrival + Coffee 16:15-16:30 Opening 16:30-18:30 Session 1 (Chair Wolfgang Lubitz) 16:30-17:00 Thomas Prisner, Goethe University Frankfurt High field dynamic nuclear polarization in the liquid state 17:00-17:30 Moreno Lelli, CERM Florence Dynamic nuclear polarization with high-fields, fast-mas and high temperatures 17:30-18:30 Guided Castle Tour 18:30-19:30 Dinner 19:30-20:00 Björn Corzilius, Goethe University Frankfurt Dynamic nuclear polarization using endogenous metal ions for sensitivity-enhances NMR of biomolecules 20:00-20:25 Monu Kaushik (promoted talk), Goethe University Frankfurt Dynamic nuclear polarization enhanced solid state NMR using bis-gd 3+ complexes as polarizing agents 20:25-21:10 Keynote Lecture (Chair Wolfgang Lubitz) Robert G. Griffin, MIT USA Amyloid, the magic angle, and microwaves 21:10 Get together 3
4 Thursday, :00-09:00 Breakfast 09:00-10:30 Session 2 (Chair Heinz-Jürgen Steinhoff) 09:00-09:30 Daniella Goldfarb, Weizmann Institute Israel ATPase activity of the DEAD box RNA helicase YxIN studied by EPR spectroscopy 9:30-10:00 Gunnar Jeschke, ETH Zürich EPR restraints for hybrid structure determination 10:00-10:30 Enrica Bordignon, Ruhr University Bochum Exploring conformational equilibria of a heterodimeric ABC transporter 10:30-11:00 Coffee 11:00-12:30 Session 3 (Chair Rasmus Linser) 11:00-11:30 Tatyana Polenova, University of Delaware Structure and dynamics of HIV-1 capsid assemblies: Insights from an integrated MAS NMR, DNP, MD simulations, and density functional theory approach 11:30-12:00 Martin Kaupp, TU Berlin The quantum-chemistry/nmr/epr link to biomolecular structure 12:00-12:30 Ilya Kuprov, University of Southampton Fokker-Planck equation as a unifying formalism for the simulation of NMR, EPR, DNP and MRI experiments 12:30-14:00 Lunch 4
5 14:00-15:00 Session 4 (Chair Björn Corzilius) 14:00-14:30 Antony Watts, University of Oxford The challenges of membrane proteins 14:30-15:00 Jiafei Mao, Goethe University Frankfurt Membrane protein safari by DNP-enhanced MAS ssnmr 15:00-15:45 Poster Flash Talks (Chair Clemens Glaubitz) 15:45-16:15 Coffee 16:15-18:30 Poster Session 18:30-19:30 Dinner 19:45-21:00 Session 5 (Chair Heinz-Jürgen Steinhoff) 19:45-20:10 Hundeep Kaur (promoted talk), Goethe University Frankfurt Extending the paradigm: ATP consumption and generation by ABC transporters 20:10-20:55 Keynote Lecture: Helmut Grubmüller, MPI Göttingen Single molecule scattering experiments and atomistic simulations of molecular machines 21:00 Get-together & Career advice panel session Friday, :00-09:00 Breakfast 09:00-10:30 Session 6 (Chair Jiafei Mao) 09:00-09:30 Rasmus Linser, Ludwig-Maximillians University Munich Protons as a tool to elucidate protein structure and dynamics in solid-state NMR spectroscopy 5
6 09:30-10:00 Josef Lewandowski, University of Warwick Structure and dynamics of protein complexes by solid-state NMR 10:00-10:30 Henrike Heise, FZ Jülich/University Düsseldorf Conformational ensembles of (disordered) proteins with DNP-NMR 10:30-11:00 Coffee 11:00-12:30 Session 7 (Chair Moreno Lelli) 11:00-11:30 Bernd Reif, TU Munich Soluble protein complexes investigated by MAS solid-state NMR 11:30-12:00 Teresa Carlomagno, Leibniz University Hannover Combining solution-/solid-state NMR, DNP and EPR to study the Box C/D srnp complex 12:00-12:30 Gerd Buntkowsky, TU Darmstadt Applications of solid-state NMR spectroscopy and DNP in heterogeneous catalysis 12:30-14:00 Lunch 14:00-16:00 Session 8 (Chair Clemens Glaubitz) 14:00-14:30 Marc Baldus, Utrecht University Cellular solid-state NMR supported by dynamic nuclear polarization at high magnetic field 14:30-15:00 Benesh Joseph, Goethe University Frankfurt Spinning on the cells: In situ dipolar spectroscopy on a membrane transporter 15:00-15:30 Manuel Etzkorn, FZ Jülich/University Düsseldorf Selective protein hyperpolarization using targeted DNP 15:30-15:55 Yin Yang, (promoted talk), Weizmann Institute Israel New Gd(III) tags via C-S conjugation for DEER distance measurements in-vitro and in-cell 16:00-16:30 Coffee 6
7 16:30-18:30 Session 9 (Chair Fraser MacMillan) 16:30-17:00 Stefan Weber, University Freiburg Hyperpolarization of electrons and nuclei as a tool to study electron transfer in DNA-repair and magnetoreceptor proteins 17:00-17:30 Daniel Klose, ETH Zürich Cu(II) binding of a self-assembling cyclic D,L-α-peptide studied by EPR spectroscopy 17:30-18:00 Anton Savitsky, MPI Mülheim ELDOR-detected NMR: a powerful EPR technique for hyperfine and polarization transfer studies 18:00-18:30 Aharon Blank, Israel Institute of Technology Haifa Microresonators for ESR spectroscopy of microcrystals 18:30-20:00 Bavarian Evening 20:00-21:00 Session 10 (Chair Heinz-Jürgen Steinhoff) 20:00-20:30 Jörg Matysik, University Leipzig Collective events in biomolecular machines 20:30-21:00 Sabine von Doorslaer, University Antwerpen EPR analysis of heme proteins of the CDE superfamily 21:00 Conclusions 21:10 Get-together Saturday, :00-09:00 Breakfast & Departure 7
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