4EWH

Co-crystal structure of ACK1 with inhibitor

4EWH の概要

• エントリーDOI: 10.2210/pdb4ewh/pdb
• 分子名称: Activated CDC42 kinase 1, 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (3 entities in total)
• 機能のキーワード: drug design, enzyme inhibitors, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cell membrane: Q07912
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 63989.91

構造登録者

Liu, J.,Walker, N.,Wang, Z. (登録日: 2012-04-27, 公開日: 2012-09-19, 最終更新日: 2012-10-31)

• 主引用文献: Jiao, X.,Kopecky, D.J.,Liu, J.,Liu, J.,Jaen, J.C.,Cardozo, M.G.,Sharma, R.,Walker, N.,Wesche, H.,Li, S.,Farrelly, E.,Xiao, S.H.,Wang, Z.,Kayser, F.; Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors.; Bioorg.Med.Chem.Lett., 22:6212-6217, 2012; PubMed: 22929232; DOI: 10.1016/j.bmcl.2012.08.020

実験手法

X-RAY DIFFRACTION (2.5 Å)