X-Ray crystallography

High-resolution protein structures to progress your drug discovery programme

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It is increasingly the case that our clients regard structure-based drug design (SBDD) as a vital component of their projects. Domainex has been a long-standing proponent of SBDD, so it’s not surprising that we have a strong in-house team of X-ray crystallographers and molecular modellers. Domainex provides a complete solution, from gene to crystal structure, that feeds seamlessly in to SBDD.

Our scientists generate high-resolution protein structures using X-ray crystallography that will provide you with invaluable structural information to provide detailed insight into your drug discovery programme. Our medicinal chemistry and computational chemistry teams are skilled in the use of this information throughout the drug discovery process to optimise ligand design and produce the most effective candidate molecules.

High-quality proteins, suitable for crystallisation studies, are prepared by our protein science team. Domainex has the in-house expertise and facilities to undertake high-throughput screening of thousands of crystallisation conditions, and through a network of world-class synchrotron facilities, including the Diamond Light Source (Oxfordshire, UK), we can obtain for you high-resolution datasets for your target proteins (apo or ligand-bound). We can process this data to solve the structures and present them to you in a variety of formats suitable for computational modelling.

Synchotron - Diamond Light Source
Image kindly provided by the Diamond Light Source

By coupling this structural biology know-how to our capabilities in fragment and structure-based drug design, you can access our state-of-the-art approaches to rapid compound optimisation.

For examples that showcase our capabilities in X-ray crystallography please see our MEK-1 and CD73 case studies.

X-ray crystallography

Figure 1: X-ray crystal structure of CD73 bound to adenosine 5′-(α,β-methylene)diphosphate (AMPCP) a CD73 inhibitor (dataset resolution 1.7Å). The structure overlays well with the Apo open conformation structure which was also solved.

X-Ray Crystallography
X-ray crystallography image 2