Structural Biology: Deciphering the Atomic Blueprint of Protein Function

Abstract

Proteins, as the primary executors of life activities, derive their complex and diverse functions directly from their precise three-dimensional spatial configurations. Structural biology, a discipline dedicated to elucidating the three-dimensional atomic structures of biological macromolecules and interpreting their functions, serves as a crucial bridge connecting genetic sequences with biological phenomena. This article systematically reviews the fundamental principle of structural biolo-gy—"structure determines function"—and elaborates on the primary methodolo-gies, including X-ray crystallography, nuclear magnetic resonance spectroscopy, and cryo-electron microscopy, employed to acquire protein structural information. Fur-thermore, it delves into how these structural insights unveil the molecular mecha-nisms underlying essential biological processes such as enzyme catalysis, signal transduction, immune recognition, and membrane transport at the atomic level. Special emphasis is placed on the relationship between protein dynamics and func-tional realization, as well as the core principle of allosteric regulation. Finally, the article envisions how artificial intelligence and in situ technologies are propelling our understanding of protein function to new heights in the era of integrative struc-tural biology. This study aims to underscore that structural biology is not only cen-tral to fundamental science but also a fundamental force in understanding disease mechanisms and driving drug development.