High-throughput fixed target SFX for pharmaceutical screening at the European XFEL

Serial femtosecond crystallography (SFX) is unique to XFELs. Collect damage-free protein structures. Femtosecond X-ray pulses are faster than damage processes in crystals. Room temperature data collection is important for ligand binding. Temperature affects ligand-binding to protein molecules Room temperature structures better represent in vivo binding behaviour. Fixed target sample delivery. Liquid jets require large volumes of sample, wasted between pulses. Fixed targets are far more sample efficient. X-ray based drug design platform (XDD) project. Center for Free-Electron Laser Science (DESY), European XFEL, University of Hamburg, University of Gothenburg, MAX IV Laboratory. Developing a pipeline for high-throughput pharmaceutical compound screening and structure-based drug design.

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Publication Details

Journal
European XFEL Publication Database
Published
2024-09-09
Primary Topic
Enzyme Structure and Function
Type
article
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article

High-throughput fixed target SFX for pharmaceutical screening at the European XFEL

Peter Smyth, Katerina Dörner, Huijong Han, Alke Meents et al.
European XFEL Publication Database
Enzyme Structure and Function
article

High-throughput fixed target SFX for pharmaceutical screening at the European XFEL

Peter Smyth, Katerina Dörner, Huijong Han, Alke Meents, Joachim Schulz
article en

Abstract

Serial femtosecond crystallography (SFX) is unique to XFELs. Collect damage-free protein structures. Femtosecond X-ray pulses are faster than damage processes in crystals. Room temperature data collection is important for ligand binding. Temperature affects ligand-binding to protein molecules Room temperature structures better represent in vivo binding behaviour. Fixed target sample delivery. Liquid jets require large volumes of sample, wasted between pulses. Fixed targets are far more sample efficient. X-ray based drug design platform (XDD) project. Center for Free-Electron Laser Science (DESY), European XFEL, University of Hamburg, University of Gothenburg, MAX IV Laboratory. Developing a pipeline for high-throughput pharmaceutical compound screening and structure-based drug design.

European XFEL Publication Database
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Enzyme Structure and Function
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High-throughput fixed target SFX for pharmaceutical screening at the European XFEL — Peter Smyth, Katerina Dörner, et al. · European XFEL Publication Database (2024) | TGRS Research Map | TGRS