Protein-Ligand Complex Structure Analysis by Creative Biostructure, Slides of Biology

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crystal soaking service

Rapid access to detailed structural information about drug targets and bound ligands is

significant in the identification and optimization of lead compounds. The structural

information of the protein-ligand complex can accelerate the optimization process of

potential lead compounds and help to solve problems related to compound selectivity,

pharmacokinetics, as well as patentability. X-ray crystallography has always been a

major technology to provide high-resolution protein-ligand complex structures for the

pharmaceutical industry. As a professional contract service provider in the field of

structural biology, Creative Biostructure offers high-throughput crystallography

techniques for lead compound identification and optimization to assist you to obtain a

large number of target-ligand (such as fragments, compounds) complex structures in a

short time. The crystal structure is useful for understanding the binding mode of

ligands and thus help guide the optimization of the lead compound.

For any project that involves determining the structure of biological macromolecules, Creative Biostructure

can provide flexible MagHelix™ Gene-to-Protein and Gene-to-Structure solutions. The steps of obtaining

structures of protein-ligand complexes by X-ray crystallography include construct design and cloning, protein

expression and purification, protein-ligand complex crystallization and crystal optimization, collection and

processing of diffraction data, and refinement of the structure for several or dozens of target-ligand complexes.

Among them, our crystallographic approaches for rapidly producing structural information of complexes

include but are not limited to:

Crystal Soaking

Soaking is the preferred approach for obtaining complex crystals if there is a soakable crystal form and the

ligand has the appropriate solubility and intrinsic potency in soaking buffer. We will soak the ligand in the

ligand-free (apo) form of the target protein crystal or replace the ligand previously bound to the target with

the selected ligand. The soaking approach provides minimal obstacles to ligand binding.

Co-crystallization

Compared with soaking, protein-ligand co-crystallization usually requires more resources and time. However, it

is often the best option when obvious conformational changes or crystal packing preclude other approaches.

The requirement to optimize crystals for each complex makes this method resource- and time-intensive.

Sometimes, the size or the chemical properties of the ligand may even require screening for new crystallization

conditions.

Capabilities and advantages of our MagHelix™ Co-crystallization and Soaking services:

Automated and robotic technologies have been applied at different aspects of the gene-to-structure path,

greatly reducing the time needed to obtain structural information for lead optimization. Our

high-throughput crystallography technique has been successfully utilized for fragment-based screening.

Our soaking and co-crystallization approaches can directly validate the hit compounds obtained during the

screening process.

The protein-fragment crystal structure can identify the binding mode of a fragment, which is helpful to guide

fragment evolution.

We have some ready-made drug target crystals that can be directly used for soaking.

Our structural biology techniques can offer information throughout the lead identification and optimization

process.

Our multi-disciplinary drug discovery team will provide you with insightful suggestions.

In addition to X-ray crystallography, Creative Biostructure can also provide a variety of other mainstream and

novel biophysical techniques for the validation and characterization of hit compounds. We welcome scientists

from academic institutions and biotech/pharmaceutical industries with drug discovery requirements to exploit

our platform to execute related projects.

Thank you!

Excerpt from:

https://drug-discovery.creative-biostructure.com/maghelix-

co-crystallization-and-soaking-p