4APP

Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide

4APP の概要

• エントリーDOI: 10.2210/pdb4app/pdb
• 関連するPDBエントリー: 2BVA 2CDZ 2J0I 2X4Z
• 分子名称: SERINE/THREONINE-PROTEIN KINASE PAK 4, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: transferase, protein kinase
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34081.61

構造登録者

Knighton, D.D.,Deng, Y.L.,Wang, C.,Guo, C.,McAlpine, I.,Zhang, J.,Kephart, S.,Johnson, M.C.,Li, H.,Bouzida, D.,Yang, A.,Dong, L.,Marakovits, J.,Tikhe, J.,Richardson, P.,Guo, L.C.,Kania, R.,Edwards, M.P.,Kraynov, E.,Christensen, J.,Piraino, J.,Lee, J.,Dagostino, E.,Del-Carmen, C.,Smeal, T.,Murray, B.W. (登録日: 2012-04-04, 公開日: 2012-06-06, 最終更新日: 2019-05-08)

• 主引用文献: Guo, C.,Mcalpine, I.,Zhang, J.,Knighton, D.D.,Kephart, S.,Johnson, M.C.,Li, H.,Bouzida, D.,Yang, A.,Dong, L.,Marakovits, J.,Tikhe, J.,Richardson, P.,Guo, L.C.,Kania, R.,Edwards, M.P.,Kraynov, E.,Christensen, J.,Piraino, J.,Lee, J.,Dagostino, E.,Del-Carmen, C.,Deng, Y.L.,Smeal, T.,Murray, B.W.; Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.; J.Med.Chem., 55:4728-, 2012; PubMed: 22554206; DOI: 10.1021/JM300204J

実験手法

X-RAY DIFFRACTION (2.2 Å)