Skip to main content

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:


A customized single crystal X-ray diffraction system that has the capabilities of utilizing both ports of a rotating anode X-ray source.

A microfocus sealed tube single crystal X-ray diffractometer that is low maintenance and perfect for screening and evaluating protein crystals.

A single crystal X-ray diffractometer with high-flux microfocus rotating anode X-ray generator and direct detection, HPC X-ray detector.

A versatile and high-flux dual-wavelength (DW) X-ray diffractometer with an HPC X-ray detector for multipurpose diffraction experiments

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

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

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

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

A unique curved single crystal X-ray diffraction 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, air-cooled X-ray detector based on direct X-ray detection technology.

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

Automated crystal transport, orientation and retrieval robot