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.

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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

Articles

Pink, spherical viral particles float across a dark background.

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Researchers defined the structure of key Nipah virus proteins to develop vaccines and treatments for this deadly virus.

Mapping Nipah viral architecture to prevent a new pandemic

News

An orange rod-shaped bacterium with blue flagella.

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A picture of the authors of the Nature paper. From left to right, Filippo Mancia, Khuram Ashraf, and Rie Nygaard.

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A new understanding of one enzyme&rsquo;s role in assembling a key macromolecule in the bacterial cell wall takes a step toward overcoming antibiotic resistance.&nbsp;

A potential new target for developing antibiotics

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September 2025

Close-up of a researcher using a stylus to draw or interact with digital molecular structures on a blue scientific interface.

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Revvity Signals

When molecules outgrow the limits of sketches and strings, researchers need a new way to describe and communicate them.

Speaking the same molecular language in the age of complex therapeutics

Portrait of Scott Weitze, Vice President of Research and Technical Standards at My Green Lab, beside text that reads “Tell us what you know: Bringing sustainability into scientific research,” with the My Green Lab logo.

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At My Green Lab® we are igniting a global shift toward environmentally responsible scientific research by helping labs to reduce their environmental impact.

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My Green Lab

Laboratories account for a surprising share of global emissions and plastic waste, making sustainability a priority for modern research.

Bringing sustainability into scientific research

Video

3D illustration of RNA molecules on a gradient blue background.

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Charles River 

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Elegen

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4basebio

With diverse emerging modalities and innovative delivery strategies, RNA therapeutics are tackling complex diseases and unmet medical needs.

CryoEM

The power of structure-based drug design

Mapping Nipah viral architecture to prevent a new pandemic

A potential new target for developing antibiotics

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September 2025