Structural Kinome

Dababase Lists

Names Descriptions Downlowd (Preparing, please wait)
Kinase Domain Structures The Kinase Domain Structures Database is a comprehensive resource compiling 3D structures of kinase domains. It provides detailed structural information, including domain-specific features, and is designed for researchers in structural kinase landscape. files
Ligand-binging Kinase Complexes This collection features experimentally determined kinase structures bound to small-molecule ligands. Each complex provides insight into binding modes, active site interactions, and conformational changes upon ligand engagement. The resource supports structure-based drug design, polypharmacology studies, and kinase-targeted therapeutic research, enabling researchers to explore how ligands modulate kinase activity at the molecular level and AI model training files
Covalent-Inhibitor-binding Kinase Complexes This collection showcases kinase structures bound to covalent inhibitors, highlighting specific reactive residues and binding modes. By capturing the molecular details of covalent interactions, it serves as a valuable resource for covalent drug design, mechanistic studies, and structure-guided inhibitor optimization. Researchers can explore how covalent binding affects kinase conformation, selectivity, and activity, facilitating the development of highly specific therapeutic agents. files
Covalent kinase inhibitors Covalent kinase inhibitors are small molecules designed to form a stable, irreversible bond with specific residues in kinase active sites. This covalent interaction enhances potency and selectivity, providing a powerful strategy for targeting disease-associated kinases. The study of these inhibitors in structural complexes helps guide drug design, mechanistic understanding, and the development of next-generation kinase-targeted therapies. files

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Email to Zheng Zhao at zz7r@virginia.edu