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Structure-based drug design

Structure-based drug design

Protein crystallography for macromolecular structure

It has been estimated that SBDD can reduce the cost from target identification to investigational new drug (IND) filing by 50%. The technique requires a high-resolution 3D structure of the inhibitor bound to the target obtained using X-ray crystallography. Once the structure is obtained, the interactions between the inhibitor and the active site of the target are analyzed. Improved inhibitors result from this analysis, resulting in a shortening of the lead optimization process.

In medicine, biotechnology and pharmacology, drug discovery is the process by which drugs are discovered and designed. In the recent past, most drugs have been discovered either by identifying the active ingredient from traditional remedies or by serendipitous discovery. A new approach, using so-called "rational drug design", has been to understand how disease and infection are controlled at the molecular and physiological level and to target specific entities based on this knowledge. Given this importance, Rigaku has been at the forefront in the development of single crystal diffraction for both macromolecular and small molecule structure determination. Our products range from automated crystallization and crystal imaging through crystal diffraction screening and high-resolution data collection systems to 3D structure refinement and imaging software.

Rigaku recommends the following systems:


Single wavelength Confocal Max-Flux (CMF) optics for single crystal diffraction

Single crystal

Our most popular diffractometer for Chemical Crystallography and Mineralogy, configured with either single or dual microfocus sealed tube X-ray sources and an extremely low noise direct X-ray detection detector.

Our most popular diffractometer for Protein Crystallography, configured with a high-flux rotating anode X-ray source and an extremely low noise direct X-ray detection detector.

Spectacular performance combined with dual wavelength versatility, provides the perfect answer for high-capacity Chemical Crystallography labs or for X-ray facilities that support Chemical Crystallography and Protein Crystallography.

A bespoke, extremely high-flux diffractometer with custom enclosure and the flexibility to utilize both ports of the rotating anode X-ray source.

A curved single crystal X-ray diffraction detector based on direct X-ray detection technology with a higher 2θ range compared to a flat detector.

Small Molecule

Robotic sample changer to provide unattended data acquisition, enhanced productivity and standardized workflow to your research environment.

User-inspired data collection and data processing software for small molecule and protein crystallography.

The smallest detachable motorized goniometer head on the market.


Automated tool for performing in situ crystallography experiments on existing X-ray diffractometers.

Automated crystal transport, orientation and retrieval robot specifically designed for high throughput structural biology.

High-resolution X-ray detectors for X-ray diffractometers from DECTRIS.


A curved detector based on direct X-ray detection technology with the highest 2θ range at a single position available for the home lab.

Extremely low noise detector based on direct X-ray detection technology.


Small angle X-ray scattering (SAXS) Kratky camera system.