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5FPL

Crystal structure of human JARID1B in complex with CCT363901

5FPL の概要
エントリーDOI10.2210/pdb5fpl/pdb
関連するPDBエントリー5FPU 5FPV
分子名称LYSINE-SPECIFIC DEMETHYLASE 5B, LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ... (7 entities in total)
機能のキーワードoxidoreductase, lysine-specific demethylase 5b
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Nucleus : Q9UGL1
タンパク質・核酸の鎖数1
化学式量合計56004.39
構造登録者
主引用文献Bavetsias, V.,Lanigan, R.M.,Ruda, G.F.,Atrash, B.,Mclaughlin, M.G.,Tumber, A.,Mok, N.Y.,Le Bihan, Y.,Dempster, S.,Boxall, K.J.,Jeganathan, F.,Hatch, S.B.,Savitsky, P.,Velupillai, S.,Krojer, T.,England, K.S.,Sejberg, J.,Thai, C.,Donovan, A.,Pal, A.,Scozzafava, G.,Bennett, J.M.,Kawamura, A.,Johansson, C.,Szykowska, A.,Gileadi, C.,Burgess-Brown, N.A.,von Delft, F.,Oppermann, U.,Walters, Z.,Shipley, J.,Raynaud, F.I.,Westaway, S.M.,Prinjha, R.K.,Fedorov, O.,Burke, R.,Schofield, C.J.,Westwood, I.M.,Bountra, C.,Muller, S.,Van Montfort, R.L.M.,Brennan, P.E.,Blagg, J.
8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59:1388-, 2016
Cited by
PubMed Abstract: We report the discovery of N-substituted 4-(pyridin-2-yl)thiazole-2-amine derivatives and their subsequent optimization, guided by structure-based design, to give 8-(1H-pyrazol-3-yl)pyrido[3,4-d]pyrimidin-4(3H)-ones, a series of potent JmjC histone N-methyl lysine demethylase (KDM) inhibitors which bind to Fe(II) in the active site. Substitution from C4 of the pyrazole moiety allows access to the histone peptide substrate binding site; incorporation of a conformationally constrained 4-phenylpiperidine linker gives derivatives such as 54j and 54k which demonstrate equipotent activity versus the KDM4 (JMJD2) and KDM5 (JARID1) subfamily demethylases, selectivity over representative exemplars of the KDM2, KDM3, and KDM6 subfamilies, cellular permeability in the Caco-2 assay, and, for 54k, inhibition of H3K9Me3 and H3K4Me3 demethylation in a cell-based assay.
PubMed: 26741168
DOI: 10.1021/ACS.JMEDCHEM.5B01635
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.35 Å)
構造検証レポート
Validation report summary of 5fpl
検証レポート(詳細版)ダウンロードをダウンロード

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件を2026-04-08に公開中

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