#4 · Tools & infrastructure

Curated databases pair bioactivity records with structural and mechanistic annotation

The common thread across these January 2026 database releases is curated, machine-readable resources that pair bioactivity records with structural or mechanistic annotation. Molecular glue and targeted degrader coverage is densest: MGTbind reports 3093 glues and 3924 ternary interactions with PDB and AlphaFold 3 ternary structures, MGDB lists 7396 curated glues from publications and patents, MolGlueDB holds 1840 entries from 241 publications, and TPDdb extends scope to PROTACs and LYTACs. Natural product resources add mechanistic layers, with NPCDR 2.0 providing binding residues and energies for drug combinations. Other entries address adverse drug events in PersADE, drug resistance in DRESIS 2.0, antimicrobial peptides in APD6, and target conservation across 180 wildlife taxa in EcoDrug PLUS. What is new is the joining of structural and mechanistic annotation to curated bioactivity data, though this is not uniform across all items.