2FKY

crystal structure of KSP in complex with inhibitor 13

2FKY の概要

• エントリーDOI: 10.2210/pdb2fky/pdb
• 関連するPDBエントリー: 2FL2 2FL6
• 分子名称: Kinesin-like protein KIF11, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
• 機能のキーワード: ksp, ksp-inhibitor complex, cell cycle
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P52732
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 83546.71

構造登録者

Yan, Y. (登録日: 2006-01-05, 公開日: 2006-02-07, 最終更新日: 2024-02-14)

主引用文献

Fraley, M.E.,Garbaccio, R.M.,Arrington, K.L.,Hoffman, W.F.,Tasber, E.S.,Coleman, P.J.,Buser, C.A.,Walsh, E.S.,Hamilton, K.,Fernandes, C.,Schaber, M.D.,Lobell, R.B.,Tao, W.,South, V.J.,Yan, Y.,Kuo, L.C.,Prueksaritanont, T.,Shu, C.,Torrent, M.,Heimbrook, D.C.,Kohl, N.E.,Huber, H.E.,Hartman, G.D.
Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16:1775-1779, 2006

PubMed Abstract: The evolution of 2,4-diaryl-2,5-dihydropyrroles as inhibitors of KSP is described. Introduction of basic amide and urea moieties to the dihydropyrrole nucleus enhanced potency and aqueous solubility, simultaneously, and provided compounds that caused mitotic arrest of A2780 human ovarian carcinoma cells with EC(50)s<10nM. Ancillary hERG activity was evaluated for this series of inhibitors.

PubMed: 16439123
DOI: 10.1016/j.bmcl.2006.01.030

実験手法

X-RAY DIFFRACTION (2.3 Å)