Understanding protein–ligand interactions at atomic detail is the foundation of structure-based drug discovery. At CrystalsFirst®, our structural biology services provide the high-resolution data that drives confident medicinal chemistry decisions. From rapid fragment screening to tailored co-crystallization and challenging de novo crystal generation, we offer a complete suite of crystallographic approaches — each seamlessly connected to our MAGNET® platform.
Our proprietary SmartSoak® technology transforms crystallography into a high-throughput hit identification tool. By soaking fragments directly into protein crystals, SmartSoak® delivers unambiguous 3D binding events with high-quality and confidence. This “crystal structure first” approach accelerates the discovery of novel chemotypes, allosteric binders, and unexpected binding modes that open new paths in drug design.
Our expertise lies in running high-throughput co-crystallization campaigns that embed ligands or other proteins directly during crystal growth or earlier in protein purification. This approach delivers dependable structural data for protein-protein, protein DNA complexes and covalent inhibitors, providing medicinal chemists with precise views of binding geometry and interactions.
For proteins or protein constructs with no prior crystal structures, or complexes that demand entirely new conditions, we offer de novo crystallization. Leveraging a broad suite of screening kits, automation, and deep expertise in solving complexes, we identify and optimize novel crystal forms of apo proteins or protein–ligand assemblies. This capability unlocks structural insights for the most challenging targets and enables drug discovery where no blueprint exists.
Together, these services form the backbone of our structure-first discovery platform, ensuring that every project begins with high-confidence, data-rich insights.
Subscribe to stay tuned