9HXV

Crystal structure of TET2-DNA in complex with IOX1

9HXV の概要

• エントリーDOI: 10.2210/pdb9hxv/pdb
• 分子名称: Methylcytosine dioxygenase TET2, 12mer-DNA, FE (II) ION, ... (8 entities in total)
• 機能のキーワード: iox1, tet2, oxidoreductase
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 59793.49

構造登録者

Niggenaber, J.,Mueller, M.P.,Rauh, D. (登録日: 2025-01-08, 公開日: 2025-04-09, 最終更新日: 2025-05-28)

主引用文献

Willems, S.,Maksumic, L.,Niggenaber, J.,Lin, T.C.,Schulz, T.,Weisner, J.,Sievers, S.,Muller, M.P.,Summerer, D.,Rauh, D.
Advancing TET Inhibitor Development: From Structural Insights to Biological Evaluation.
Acs Med.Chem.Lett., 16:804-810, 2025

PubMed Abstract: Ten-eleven translocation (TET) methylcytosine dioxygenases are part of the epigenetic regulatory machinery that erases DNA methylation. Aberrant TET activities are frequently found in hematopoietic malignancies, where loss of TET2 function leads to DNA hypermethylation. A comprehensive understanding of the biological role of TETs is essential to elucidate disease pathogenesis and identify novel therapeutic strategies. We present a robust pipeline integrating protein X-ray crystallography, molecular modeling, and pharmacophore analysis to advance the current TET inhibitor development. In addition, we have synthesized and evaluated a series of 8-hydroxyquinoline (8-HQ) derivatives, demonstrating their potential as chemical tools to explore TET function further. These findings lay the groundwork for a TET-centered therapeutic approach.

PubMed: 40365382
DOI: 10.1021/acsmedchemlett.5c00042

実験手法

X-RAY DIFFRACTION (1.9 Å)