3K5U

Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor

3K5U の概要

• エントリーDOI: 10.2210/pdb3k5u/pdb
• 分子名称: Serine/threonine-protein kinase 6, 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL (3 entities in total)
• 機能のキーワード: aurora kinase inhibitors, virtual screening, x-ray co-crystal analysis, structure-based drug design (sbdd), h-bonding, atp-binding site, cell cycle, cytoskeleton, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : O14965
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32690.49

構造登録者

Wu, J.S.,Leou, J.S.,Coumar, M.S.,Hsieh, H.P.,Wu, S.Y. (登録日: 2009-10-08, 公開日: 2010-10-13, 最終更新日: 2023-11-01)

• 主引用文献: Coumar, M.S.,Tsai, M.T.,Chu, C.Y.,Uang, B.J.,Lin, W.H.,Chang, C.Y.,Chang, T.Y.,Leou, J.S.,Teng, C.H.,Wu, J.S.,Fang, M.Y.,Chen, C.H.,Hsu, J.T.,Wu, S.Y.,Chao, Y.S.,Hsieh, H.P.; Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor; Chemmedchem, 5:255-267, 2010; PubMed: 20039358; DOI: 10.1002/cmdc.200900339

実験手法

X-RAY DIFFRACTION (2.35 Å)