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Book of Abstracts


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