Illustration of the four levels of protein structure, including primary, secondary, tertiary, and quaternary structure

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A 3D rendering showing a drug molecule bound to a protein, symbolic of structure-based protein design.

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A 3D rendering showing a drug molecule bound to a protein, with the protein depicted as a cartoon model and the drug as a ball-and-stick model

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A flowchart illustrating the overall approach to computational protein structure prediction, starting with a protein sequence and progressing through multiple sequence alignment, database searching, secondary structure prediction, protein threading, homology modeling, and  Ab initio modeling to generate a 3D protein model, with steps varying based on the presence of homologs in the PDB and prediction results.

binding

The cryo-EM structure of a protein is depicted in ribbon and surface representations, with different colors highlighting individual domains within the structures.

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A cartoon representation of a protein binding to a small molecule at the protein’s binding site 

An image of protein crystals used for X-ray crystallography

A cartoon representation of a zinc finger motif of proteins

Learn how <strong id="isPasted">structure-based drug design</strong> uses a protein&#39;s 3D structure to create precisely targeted medicines. Explore the key techniques, from X-ray crystallography to AI-powered modeling.

The power of structure-based drug design

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Scientific illustration of a cell releasing exosomes: small, spherical extracellular vesicles budding from and detaching off the cell’s plasma membrane into the surrounding space, shown as tiny capsule-like structures emerging from the cell surface.

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Close-up of a scientist’s hands typing on a laptop next to a microscope in a laboratory setting.

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Scientist weighing a laboratory sample using a four-decimal analytical balance in a quality control setting.

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The power of structure-based drug design

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