Crystal Structure Determination

We solve high-resolution X-ray crystal structures to advance drug discovery. Three-dimensional structure determination is an integral part of drug discovery and development. Clients use our protein structures and analysis to identify hits, develop early leads, and optimize pre-clinical compounds. Crystal structures provide atomic details that empower chemists to optimize leads quickly and with confidence.

At Structure Based Design, we crystalize proteins using our high throughput nanoliter dispensing robot, saving time and making efficient use of precious samples. Crystals from coarse matrix screens are optimized using fine screens, additives, and seeding. Depending on the project we may perform co-crystallization with your compounds or crystalize the apo protein and soak your compounds in for data collection. We collect X-ray data on synchrotron beamlines (SSRL or ALS), ensuring the highest resolution for your project. Our scientists solve your structure with molecular replacement or advanced de novo phasing techniques. Once solved, we prepare a detailed comparative analysis of your protein co-crystal structures.

Structure-based drug design can be used to optimize lead compound specificity and binding affinity, while enhancing efficacy, by eliminating unwanted physiochemical properties to yield more efficient candidates. Such strategies have the potential to shave off years and millions of dollars in the processes to identify a new drug candidate. SBD's structural biology experience and proprietary technology gives clients the power of structure-based design into their drug discovery program.

In addition to crystal structure determination services, we also offer structure analysis packages bringing the power of rational design to your drug discovery process. SBD scientists analyze all available structures of your target and present an interactive 3D molecular graphics session to you with superimposed structures. We’ll show you the important interactions, highlight inhibitor-induced conformational changes, and answer your design questions in real-time in person or during a virtual conference with screen sharing.