Book of Abstracts
Program
Please find the current topics for the sessions below:
- Use of structures in Medicinal Chemistry, case and success stories
- Binding Kinetics in drug discovery
- Structural studies on epigenetic targets
- Biopharmaceuticals (structures for design and validation)
- New Structures/Hot targets
- Exploiting structural data
- Crystallization / Crystal treatment / Data collection, incl. High-Throughput approaches and automation stories
- X-FEL – impact for biomolecular structure
Preliminary program PSDI 2015
Althoff Seehotel Überfahrt, Rottach-Egern
| Day 1: Sunday, November 8, 2015 | ||
| 15:00 - 19:00 | Registration | |
| 18:20 - 18:30 | Opening Remarks Proteros | |
| 18:30 - 19:30 | Robert Huber, Max-Planck-Institut für Biochemie, Martinsried, Germany | Protease control in health and disease, my experience with its translation into practice |
| 19:30 - 23:00 | Welcome Reception – food, drinks and networking | |
| Day 2: Monday, November 9, 2015 | ||
| 08:30 - 10:30 | Session 1: New structures / Hot targets | |
| Chair | Herbert Nar, Boehringer Ingelheim | |
| 08:30 - 08:50 | Michael Hennig, Roche, Basel, Switzerland | Extension of the structure based drug discovery to membrane proteins, update on the Roche activities and recent examples |
| 08:50 - 09:10 | Armin Ruf, Roche, Basel, Switzerland | Crystal structures of the human doublecortin C-terminal and N-terminal domains in complex with specific antibodies |
| 09:10 - 09:30 | Hans Brandstetter, Universität Salzburg, Austria | Orthogonal activities in legumain and their specific inhibition |
| 09:30 - 09:50 | Aengus Mac Sweeney, Actelion Pharmaceuticals, Allschwil, Switzerland | Discovery and optmization of inhibitors of the complement system |
| 09:50 - 10:10 | Thomas Gossas, Beactica, Uppsala, Sweden | Discovery of Allosteric Modulators of the α7 Nicotinic Acetylcholine Receptor |
| 10:10 - 10:30 | Patrik Johansson, AstraZeneca, Mölndal, Sweden | Inhibition of the membrane-embedded Microsomal prostaglandin synthase-1 |
| 10:30 - 11:00 | Morning Break | |
| 11:00 - 12:50 | Session 2: Computational Chemistry, Biostructures & Biophysics | |
| Chair | Torsten Hoffmann, Proteros | |
| 11:00 - 11:30 | Hans-Joachim Böhm | Future impact of biostructural and biophysical approaches on drug discovery |
| 11:30 - 11:50 | Frech Matthias, Merck Serono, Darmstadt, Germany | Hsp 90 as a model system to explain the kinetics of the interaction of small molecules |
| 11:50 - 12:10 | Gisela Schnapp, Boehringer Ingelheim, Biberach, Germany | Analysis of binding kinetics and thermodynamics of DPP-4 inhibitors and their relationship to structure |
| 12:10 - 12:30 | Lars Neumann, Proteros Biostructures GmbH, Martinsried, Germany | Case study on CDK8/CycC: Structure guided fragment evolution towards long residence time |
| 12:30 - 12:50 | Simon Holton,Bayer Pharma AG , Berlin, Germany | Biophysical approaches for hit finding and evaluation at Bayer: Discovery and characterization of the SMYD2 chemical probe BAY-598 |
| 12:50 - 13:50 | Lunch | |
| 13:50 - 15:30 | Session 3: Technology 1 Crystallisation/Crystal treatment/Data Collection/Synchrotron/ Automation | |
| Chair | Martina Schäfer, Bayer | |
| 13:50 - 14:10 | Henry N. Chapman, DESY, Hamburg, Germany | Structure determination using X-Ray FELs |
| 14:10 - 14:30 | Stefan Raunser, Max Planck Institute of Molecular Physiology, Dortmund, Germany | Strengths of Single Particle Cryo-EM |
| 14:30 - 14:50 | Patrick Shaw Stewart, Douglas Instruments, East Garston, UK | Understanding random crystal screening with microseeding – how new strategies can improve productivity |
| 14:50 - 15:10 | Isabel Moraes, Membrane Protein Lab Diamond, Oxford, UK | Structure Determination of Membrane Proteins The Present and the Future |
| 15:10 - 15:30 | Frank von Delft, Diamond, Oxford, UK | Fragment screening in crystals comes of age: 500 soaks in a week at Diamond I04-1 |
| 15:30 - 16:00 | Break | |
| 16:00 - 17:40 | Session 4: Exhibitors | |
| Chair | Stephan Krapp, Proteros | |
| 16:00 - 16:10 | Paul Thaw, TTP Labtech, Royston, UK | Flying through optimization screening with dragonfly |
| 16:10 - 16:20 | Jochen Mueller-Dieckmann, Formulatrix, Inc., Bedford MA, USA | Advancements in Automated Imaging: Trace Fluorescence Labeling and SONICC |
| 16:20 - 16:30 | Joe Ferrara , Rigaku, Houston TX, USA | Reassessing Rigaku Oxford Diffraction’s HomeLab Rotating Anode X-ray Sources |
| 16:30 - 16:40 | Gregory Warren, OpenEye, Santa Fe, NM, USA | Review of AFITT for automatically fitting ligand to density, refitting protein side chains and optimizing ligand conformations in BUSTER and PHENIX |
| 16:40 - 16:50 | Hillary McNeill, Douglas Instruments, East Garston, UK | The Oryx Range by Douglas Instruments: Special Tools for Crystallization |
| 16:50 - 17:00 | Torsten Hoffmann, Proteros Biostructures GmbH, Martinsried, Germany | Lead Discovery at the Cutting Edge of Epigenetic Targets |
| 17:00 - 17:10 | Edward Pryor, Anatrace, Maumee, OH, USA | Discussion of new tools and techniques for membrane protein purification and crystallization |
| 17:10 - 17:20 | Andreas Förster, DECTRIS Ldt., Baden, Switzerland | Technological advances in rational drug design |
| 17:20 - 17:30 | Artem Evdokimov, HarkerBIO, Buffalo, NY, USA | If the dog won't hunt: Advanced mutagenesis strategies for crystallization of recalcitrant targets. |
| 17:30 - 17:40 | Vernon Smith, Bruker AXS GmbH, Karlsruhe, Germany | Latest Developments in Home-Lab Macromolecular Crystallography |
| 18:30 | Departure for Conference Dinner | |
| 19:15 - 22:45 | Dinner at Herzogliches Bräustüberl Tegernsee | www.braustuberl.de |
| 22:00 | Bus 1 departure back to the hotel | |
| 22:30 | Bus 2 departure back to the hotel | |
| 22:50 | Bus 3 departure back to the hotel | |
| Day 3: Tuesday, November 10, 2015 | ||
| 8:30 - 10:30 | Session 5: Use of structures in Medicinal Chemistry, case and success stories | |
| Chair | Hans-Joachim Böhm | |
| 8:30 - 8:50 | Sandra Cowan-Jacob, Novartis, Basel, Switzerland | Discovery of kinase inhibitors binding outside the ATP site |
| 8:50 - 9:10 | Alex Milbradt, AstraZeneca, Macclesfield, UK | Structure and Biophysics: Fragment-based discovery of the first known inhibitors of PHGDH |
| 9:10 - 9:30 | Martina Schäfer,Bayer Pharma AG , Berlin, Germany | Discovery of BAY 85-8501, a Novel and Highly Potent Induced-Fit Binder of Human Neutrophil Elastase for Pulmonary Diseases |
| 9:30 - 9:50 | Steven Sheriff, Bristol-Myers Squibb, NJ, USA | Structure of the kinase domain of TGFβR2 |
| 9:50 - 10:10 | Djordje Musil, Merck Serono, Darmstadt, Germany | Discovery and optimization of small-molecule inhibitors of transforming growth factor β receptor type I (TβRI) |
| 10:10 - 10:30 | David Hargreaves, AstraZeneca, Cambridge, UK | Novel Mcl-1 Antibody Assisted Crystal System: supporting a DNA encoded library hit finding strategy targeting Protein-Protein Interactions. |
| 10:30 - 11:20 | Morning break | |
| 11:20 - 13:00 | Session 6: Technology 2 / Software | |
| Chair | Michael Mrosek, Proteros | |
| 11:20 - 11:40 | Gerard Bricogne, Global phasing Ltd., Cambridge, United Kingdom | Optimising and driving synchrotron experiments as a third party |
| 11:40 - 12:00 | Randy J Read, Cambridge Institute for Medical Research, Cambridge, UK | Recent developments in Phaser |
| 12:00 - 12:20 | Paul Emsley, University Cambridge, Cambridge, UK | Using Coot tools for protein-ligand complex model validation |
| 12:20 - 12:40 | Joshua Salafsky, Biodesy, San Francisco, CA, USA | Second-harmonic generation (SHG) as a sensitive, real-time probe of protein structure |
| 12:40 - 13:00 | Stephanie Monaco, ESRF, Grenoble, France | New tools and techniques at the service of drug discovery at ESRF |
| 13:00 - 14:00 | Lunch | |
| 14:00 - 16:20 | Session 7: Biopharmaceuticals (structures for design and validation) | |
| Chair | Charlie Eigenbrot, Genentech | |
| 14:00 - 14:20 | Guy Georges, Roche, Penzberg, Germany | Why do we need biologics structures, especially antibody-antigen complex structures? Structure-guided antibody engineering and humanization |
| 14:20 - 14:40 | Alexey Rak, Sanofi, Paris, France | Biologics structure based rational design, validation and characterization |
| 14:40 - 15:00 | Matthew Bottomley, GSK Vaccines , Siena, Italy | Structural Biology in Vaccine Research |
| 15:00 - 15:20 | Alexey Teplyakov, Johnson & Johnson, Spring House, PA, USA | Structure-based antibody engineering |
| 15:20 - 15:40 | Herbert Nar, Boehringer Ingelheim, Biberach, Germany | Specific Antidotes For Dabigatran: Structure-guided Affinity Optimisation and Functional Characterisation |
| 15:40 - 16:00 | Bernhard Loll, moloX GmbH, Berlin, Germany | Production of macrocyclic diterpenes in bacterial hosts |
| 16:00 - 16:20 | Tom Ceska, UCB, Oxford, UK | Antibodies and NCEs Opportunities at the Interface |
| 16:20 | Closing Remarks | |
| 16:20 | Coffee Break | |