5FP9

Crystal structure of human KDM4D in complex with 3-aminopyridine-4- carboxylic acid

5FP9 の概要

• エントリーDOI: 10.2210/pdb5fp9/pdb
• 関連するPDBエントリー: 5FP3 5FP4 5FP7 5FP8 5FPA 5FPB
• 分子名称: HUMAN LYSINE-SPECIFIC DEMETHYLASE 4D JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3D, JUMONJI DOMAIN-CONTAINING PROTEIN 2D, JMJD2D, ZINC ION, COBALT (II) ION, ... (7 entities in total)
• 機能のキーワード: oxidoreductase, lysine specific histone demethylase, jmjd2d, kdm4d, jumonji
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Nucleus : Q6B0I6
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 39577.63

構造登録者

Chung, C. (登録日: 2015-11-27, 公開日: 2016-01-27, 最終更新日: 2025-04-09)

主引用文献

Westaway, S.M.,Preston, A.G.S.,Barker, M.D.,Brown, F.,Brown, J.A.,Campbell, M.,Chung, C.,Diallo, H.,Douault, C.,Drewes, G.,Eagle, R.,Gordon, L.,Haslam, C.,Hayhow, T.G.,Humphreys, P.G.,Joberty, G.,Katso, R.,Kruidenier, L.,Leveridge, M.,Liddle, J.,Mosley, J.,Muelbaier, M.,Randle, R.,Rioja, I.,Rueger, A.,Seal, G.A.,Sheppard, R.J.,Singh, O.,Taylor, J.,Thomas, P.,Thomson, D.,Wilson, D.M.,Lee, K.,Prinjha, R.K.
Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59:1357-, 2016

PubMed Abstract: Optimization of KDM6B (JMJD3) HTS hit 12 led to the identification of 3-((furan-2-ylmethyl)amino)pyridine-4-carboxylic acid 34 and 3-(((3-methylthiophen-2-yl)methyl)amino)pyridine-4-carboxylic acid 39 that are inhibitors of the KDM4 (JMJD2) family of histone lysine demethylases. Compounds 34 and 39 possess activity, IC50 ≤ 100 nM, in KDM4 family biochemical (RFMS) assays with ≥ 50-fold selectivity against KDM6B and activity in a mechanistic KDM4C cell imaging assay (IC50 = 6-8 μM). Compounds 34 and 39 are also potent inhibitors of KDM5C (JARID1C) (RFMS IC50 = 100-125 nM).

PubMed: 26771107
DOI: 10.1021/ACS.JMEDCHEM.5B01537

実験手法

X-RAY DIFFRACTION (2 Å)