XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 5th Dec 2023, 04:27:47pm CET
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Session Overview |
| Session | ||
MS-89: Fragment Screening, LCP, and Automation
Invited: Martin Noble (UK), Kenton Longenecker (USA) | ||
| Session Abstract | ||
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The increasing speed of detectors and the ever increasing automation and beam intensities at synchrotrons have made it possible to collect several hundred diffraction data sets within 24 hours of beam time. This had made extensive screening-by-crystallography experiments feasible. Fragments can be screened for binding in early-stage drug discovery approaches, metabilites can be screened for functional investigations, etc. Such experiments also require a different way of thinking about individual diffraction data sets. In a screening campaign consisting of several hundred data sets, the individual data sets are essentially meaningless. The power of such an experiments lies in the simultaneous analysis of all data sets at once. | ||
| Introduction | ||
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Fragment-Based Discovery of Orally Efficacious Allosteric Inhibitors of TNF-alpha AbbVie, North Chicago, United States of America External Resource:
 10:55am - 11:25am
FragLites: a library of small molecules incorporating anomalous scatterers with applications in screening and protein interaction mapping Newcastle University, Newcastle upon Tyne, United Kingdom External Resource:
11:25am - 11:45am
Using sound pulses to solve the crystal harvesting bottleneck 1Universidade Federal de Santa Maria, 97105-900 Santa Maria-RS; 2Department of Biology, College of William and Mary, Williamsburg, VA 23187, USA; 3Department of Biology, Stony Brook University, New York, NY 11794-5215, USA; 4Department of Biology, York College of Pennsylvania, York, PA 17403, USA; 5Department of Computer Science, Stony Brook University, New York, NY 11794-5215, USA; 6Department of Clinical Nutrition, Stony Brook University, New York, NY 11794-5215, USA; 7Department of Biomedical Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA; 8Energy Sciences Directorate, NSLS II, Brookhaven National Laboratory, Upton, NY 11973-5000 USA; 9Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte-MG, Brazil External Resource:
11:45am - 12:05pm
High throughput approach to prepare high-density microcrystals in lipidic cubic phase for serial crystallography and fragment screening 1National Physical Laboratory, Teddington, UK; 2Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK; 3Biochemistry Department, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK External Resource:
12:05pm - 12:25pm
Fragment-based development of bacterial DsbA inhibitors as novel anti-virulence agents 1Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Bundoora, VIC, 3086, Australia; 2Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC, 3052, Australia; 3Institute of Health and Biomedical Innovation, Queensland University of Technology, Kelvin Grove, QLD, 4059; 4Griffith Institute for Drug Discovery, Griffith University, Nathan, QLD, 4111, Australia External Resource:
12:25pm - 12:45pm
Efficiently from Library to Hit – Crystallographic Fragment Screening in Berlin via Structurally Diverse Compound Libraries 1Helmholtz-Zentrum Berlin, Macromolecular Crystallography; 22 Philipps-Universität Marburg, Institute of Pharmaceutical Chemistry, Drug Design Group; 3MAX IV Laboratory, BioMAX; 4Helmholtz-Zentrum Berlin, Department Sample Environment External Resource:
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