6XEB

STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E)

6XEB の概要

• エントリーDOI: 10.2210/pdb6xeb/pdb
• 分子名称: Histone deacetylase 2, ZINC ION, SULFATE ION, ... (7 entities in total)
• 機能のキーワード: histone deacetylase, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 132698.83

構造登録者

Klein, D.J.,Clausen, D. (登録日: 2020-06-12, 公開日: 2020-08-12, 最終更新日: 2024-03-06)

主引用文献

Clausen, D.J.,Liu, J.,Yu, W.,Duffy, J.L.,Chung, C.C.,Myers, R.W.,Klein, D.J.,Fells, J.,Holloway, K.,Wu, J.,Wu, G.,Howell, B.J.,Barnard, R.J.O.,Kozlowski, J.
Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30:127367-127367, 2020

PubMed Abstract: The synthesis and SAR development of a trisubstituted imidazole HDAC inhibitor is described. The compounds were synthesized with high diastereocontrol by leveraging Ellman sulfinyl imine chemistry. Structural elucidation provided insight into binding mode and supported design rational. Pharmacokinetic properties of lead compounds were determined.

PubMed: 32738976
DOI: 10.1016/j.bmcl.2020.127367

実験手法

X-RAY DIFFRACTION (1.5 Å)