Molecular Glue and Ternary binding database

MGTbind database contains 3,093 manually curated MGs with their chemical structures and physicochemical properties, along with 3,924 ternary interactions with bioactivity measurements (e.g. degradation capacities for MG degraders, in vitro biochemical activities and cellular activities). Hierarchical binding affinity is also collected to enable exploring of cooperative binding mechanisms. Ternary complex structural data are systematically integrated, either from the Protein Data Bank or generated by AlphaFold 3. All of them can be intuitively analyzed and visualized along with various predicted metrics. A fully functional and user-friendly web interface that allows global search and smooth browsing is provided and is freely accessible at https://mgtbind.pkumdl.cn.MGTbind数据库收录了3093条经人工手动整理的MGs，包含其化学结构与理化性质；同时配套收录了3924条带有生物活性检测数据的三元相互作用条目，例如MG降解菌的降解能力、体外生化活性与细胞活性。此外，该数据库还收集了层级结合亲和力数据，以支持协同结合机制的探索研究。研究团队系统性整合了三元复合物结构数据，这些数据既来自蛋白质数据库（Protein Data Bank），也由AlphaFold 3生成。所有数据均可结合各类预测指标进行直观分析与可视化展示。该数据库配备功能完备、操作友好的网页界面，支持全局搜索与流畅浏览，并可通过https://mgtbind.pkumdl.cn免费访问。

搜集汇总

背景与挑战

背景概述

MGTbind数据库收录了3093个经人工整理的分子胶及其化学结构与理化性质，以及3924个具有生物活性测量的三元相互作用。该数据库整合了层次结合亲和力与三元复合物结构数据，支持直观分析与可视化，并提供免费访问的友好型网络界面。