4P90

Crystal structure of the kinase domain of human PAK1 in complex with compound 15

4P90 の概要

• エントリーDOI: 10.2210/pdb4p90/pdb
• 分子名称: Serine/threonine-protein kinase PAK 1, [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone (3 entities in total)
• 機能のキーワード: inhibitor, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q13153
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 67416.30

構造登録者

Ferguson, A.D. (登録日: 2014-04-01, 公開日: 2014-09-10, 最終更新日: 2023-09-27)

• 主引用文献: McCoull, W.,Hennessy, E.J.,Blades, K.,Box, M.R.,Chuaqui, C.,Dowling, J.E.,Davies, C.D.,Ferguson, A.D.,Goldberg, F.W.,Howe, N.J.,Kemmitt, P.D.,Lamont, G.M.,Madden, K.,McWhirter, C.,Varnes, J.G.,Ward, R.A.,Williams, J.D.,Yang, B.; Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.; MEDCHEMCOMM, 2014; DOI: 10.1039/C4MD00280F

実験手法

X-RAY DIFFRACTION (2.49 Å)