1YRS

Crystal structure of KSP in complex with inhibitor 1

1YRS の概要

• エントリーDOI: 10.2210/pdb1yrs/pdb
• 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: 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: 83643.71

構造登録者

Cox, C.D.,Breslin, M.J.,Mariano, B.J.,Coleman, P.J.,Buser, C.A.,Walsh, E.S.,Hamilton, K.,Kohl, N.E.,Torrent, M.,Yan, Y.,Kuo, L.C.,Hartman, G.D. (登録日: 2005-02-04, 公開日: 2005-04-12, 最終更新日: 2023-08-23)

主引用文献

Cox, C.D.,Breslin, M.J.,Mariano, B.J.,Coleman, P.J.,Buser, C.A.,Walsh, E.S.,Hamilton, K.,Huber, H.E.,Kohl, N.E.,Torrent, M.,Yan, Y.,Kuo, L.C.,Hartman, G.D.
Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP
BIOORG.MED.CHEM.LETT., 15:2041-2045, 2005

PubMed Abstract: Optimization of high-throughput screening (HTS) hits resulted in the discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of KSP. Dihydropyrazole 15 is a potent, cell-active KSP inhibitor that induces apoptosis and generates aberrant mitotic spindles in human ovarian carcinoma cells at low nanomolar concentrations. X-ray crystallographic evidence is presented which demonstrates that these inhibitors bind in an allosteric pocket of KSP distant from the nucleotide and microtubule binding sites.

PubMed: 15808464
DOI: 10.1016/j.bmcl.2005.02.055

実験手法

X-RAY DIFFRACTION (2.5 Å)