Advances in cryo-electron microscopy (cryoEM) for structure-based drug discovery.

ABSTRACT:

Introduction

Macromolecular X-ray crystallography (XRC), nuclear magnetic resonance (NMR), and cryo-electron microscopy (cryoEM) are the primary techniques for determining atomic-level, three-dimensional structures of macromolecules essential for drug discovery. With advancements in artificial intelligence (AI) and cryoEM, the Protein Data Bank (PDB) is solidifying its role as a key resource for 3D macromolecular structures. These developments underscore the growing need for enhanced quality metrics and robust validation standards for experimental structures.

Areas covered

This review examines recent advancements in cryoEM for drug discovery, analyzing structure quality metrics, resolution improvements, metal-ligand and water molecule identification, and refinement software.

SUBMITTER: Rubach P 

PROVIDER: S-EPMC12403223 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature