《生命科学》 2025, 37(7): 886-893

中国蛋白质结构数据库：立足当下，着眼未来

冀文欣¹ , 张蔚哲¹ , 陈昭衡¹ , 马晓丹¹ , 吴　斌¹ , 王　权^1,2,* , 许文青^2,*

¹中国科学院上海高等研究院国家蛋白质科学研究(上海)设施，上海 201210 ²上海科技大学，上海 201210

摘　要：

生物大分子的三维结构是理解生命现象分子机制和创新药物研发等生命健康产业与应用的核心基础之一。蛋白质结构数据库(Protein Data Bank, PDB) 作为存储生物大分子三维结构的核心资源，自1971 年创立以来，截至2025 年5 月数据条目已超过23 万，年平均数据下载超30 亿次。2022 年，中国蛋白质结构数据库(Protein Data Bank China, PDB China) 作为第四个国家和地区成员正式加入国际蛋白质结构数据库(Worldwide Protein Data Bank, wwPDB)，截至2024 年底已基本实现本土蛋白质结构研究结果的自主审校。未来将着眼于前沿数据审校技术研发、综合信息系统开发、原始数据整合及多学科交叉融合，强化其在人工智能(Artificial Intelligence, AI) 时代支撑科学创新与产业发展的战略作用。

通讯作者：王　权 , Email:wangq@shanghaitech.edu.cn 许文青 , Email:xuwq2@shanghaitech.edu.cn

Protein Data Bank China: grounding in the present, focusing on the future

JI Wen-Xin¹ , ZHANG Wei-Zhe¹ , CHEN Zhao-Heng¹ , MA Xiao-Dan¹ , WU Bin¹ , WANG Quan^1,2,* , XU Wen-Qing^2,*

¹National Facility for Protein Science in Shanghai, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China ²ShanghaiTech University, Shanghai 201210, China

Abstract:

Three-dimensional structures of biomacromolecules are crucial for understanding molecular mechanisms of life and drug development, serving as a key foundation for biomedical applications. As the core global repository for three-dimensional biomacromolecule structures, Protein Data Bank (PDB) has processed and validated over 230,000 entries by May 2025 since its establishment in 1971, with annual downloads exceeding 3 billion. In 2022, Protein Data Bank China (PDB China) was admitted as an associate member of the Worldwide Protein Data Bank (wwPDB). By the end of 2024, PDB China has achieved near-complete biocuration of all protein structures determined in mainland China (about one-fifth of all structures deposited to wwPDB). Moving forward, PDB China will focus on biocuration technologies, integrated data system developement, raw experimental data annotation, and interdisciplinary collaboration to enhance its strategic role in driving scientific innovation and biomedical development in the Artificial Intelligence (AI) era.

Communication Author：WANG Quan , Email:wangq@shanghaitech.edu.cn XU Wen-Qing , Email:xuwq2@shanghaitech.edu.cn