Co-crystallization is a cornerstone of structure-based drug discovery. At CrystalsFirst, we integrate co-crystallization into our broader structural biology platform. Unlike sequential approaches, we use parallel automated screening methods, and proprietary workflows to streamline co-structure generation. The result: faster turnaround, higher success rates, and reliable datasets that support fragment-based design, hit-to-lead optimization. For covalent drug discovery CrystalsFirst has established workflows increasing the success rate of co-structure determination.
“We are very impressed by the impact CrystalsFirst’s platform has had on our discovery efforts. Their structural biology and fragment screening technologies provided valuable insights that helped us advance our programs.”
Oss, Netherlands
Automation at scale: High-throughput crystallization and co-crystallization workflows minimize bottlenecks and increase reproducibility.
De novo crystallization screens: Broad condition testing enables structural access to challenging apo proteins and novel ligands.
Broad expertise for different modes of action: Proven track record in solving co-structures of macrocycles, non-covalent and covalent inhibitors, as well as PROTACs
Data-rich outcomes: Each project delivers refined electron density maps, ligand-bound structures, and QC metrics for reliable downstream use.
Automation at scale: High-throughput crystallization and co-crystallization workflows minimize bottlenecks and increase reproducibility.
De novo crystallization screens: Broad condition testing enables structural access to challenging apo proteins and novel ligands.
Broad expertise for different modes of action: Proven track record in solving co-structures of macrocycles, non-covalent and covalent inhibitors, as well as PROTACs
Data-rich outcomes: Each project delivers refined electron density maps, ligand-bound structures, and QC metrics for reliable downstream use.
Protein crystallization & ligand preparation – Parallel crystallization of apo proteins and ligand–protein complexes using diverse conditions.
Automated condition screening – Robotics-driven trials expand coverage beyond conventional manual methods.
Tailored workflows – Non-covalent and covalent ligands require special workflows for successful co-structure determination
Data collection and refinement – CrystalsFirst’s FastForward pipeline processes and refines automatically the collected data
Protein crystallization & ligand preparation – Parallel crystallization of apo proteins and ligand–protein complexes using diverse conditions.
Automated condition screening – Robotics-driven trials expand coverage beyond conventional manual methods.
Tailored workflows – Non-covalent and covalent ligands require special workflows for successful co-structure determination
Data collection and refinement – CrystalsFirst’s FastForward pipeline processes and refines automatically the collected data
Co-crystallization provides direct visualization of ligand binding modes. This structural data supports fragment-to-lead optimization, helps medicinal chemists understand SAR, and reduces wasted cycles in compound design.
CrystalsFirst integrates parallel automation and proprietary expert know-how and in cases combined with SmartSoak® technology. This combination accelerates timelines, boosts success rates, and enables challenging targets often not available by standard workflows.
Yes. We specialize in covalent drug discovery, with established protocols for electrophilic fragments, covalent inhibitors. Specialized protein production protocols facilitate high-quality protein material for reliable structure determination.
Automation significantly increases reproducibility. Our milestone-based workflow combines robotics with expert supervision, ensuring systematic exploration of crystallization conditions and reducing the manual burden.
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