MGTbind:一个全面的分子三元互动原子数据库
Jintao Zhu1, Yiyan Liao2, Haoyu Lin1
1Center for Quantitative Biology, Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 100871, China.
Nucleic acids research
|October 29, 2025
概括
分子粘剂 (MGs) 对于重新编程细胞至关重要,但发现很困难. 新的MGTbind数据库提供精选的数据和结构,以帮助合理的MG设计和药物发现.
科学领域:
- 生物化学 生物化学
- 化学生物学 化学生物学
- 药物发现 药物发现 药物发现
背景情况:
- 分子粘剂 (MGs) 是调节蛋白质-蛋白质相互作用的小分子,影响细胞功能.
- 目前,MG的发现受到偶然性和广泛的实验查的限制.
- 越来越需要数据驱动的方法来促进合理的MG设计.
研究的目的:
- 为分子和三元结合信息开发一个全面的数据库 (MGTbind).
- 提供精心策划的数据资源,支持分子的合理设计.
- 通过提供对MG参与互动组的见解,促进药物发现和合成生物学方面的研究.
主要方法:
- 3093分子的手工固,包括化学结构和特性.
- 整合了3924个三元相互作用与相关的生物活性测量 (降解,体外,细胞).
- 从PDB和AlphaFold 3预测中系统地收集三元复杂结构数据.
主要成果:
- MGTbind数据库包含有关MG,其化学性质和相互作用的大量数据.
- 生物活性测量和层次的结合亲缘关系被纳入分析合作结合.
- 来自PDB和AlphaFold 3的结构数据集成用于直观的分析和可视化.
结论:
- MGTbind数据库为推进分子粘剂研究提供了宝贵的资源.
- 它能够直观地分析和可视化MG参与的三元复合体.
- 免费访问的网页界面支持药物发现和合成生物学研究人员的全球搜索和浏览.
相关概念视频
Protein-protein Interfaces
14.4K
Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
14.4K
Protein-Protein Interfaces
4.4K
4.4K
Protein Networks
4.5K
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
4.5K
Protein Networks
2.8K
2.8K
Protein Complexes with Interchangeable Parts
2.1K
2.1K
Protein Complexes with Interchangeable Parts
2.9K
Groups of proteins may form a complex where each protein in this complex has a different role in the overall execution of the complex’s function. Often some of the proteins in the complex can be replaced by a closely related variant to give a complex that contains many of the same components yet is functionally distinct.
The SCF ubiquitin ligase is a protein complex of five individual proteins. This complex attaches ubiquitin to other target proteins to mark them for degradation. In order...
The SCF ubiquitin ligase is a protein complex of five individual proteins. This complex attaches ubiquitin to other target proteins to mark them for degradation. In order...
2.9K


