3VBQ

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

3VBQ の概要

• エントリーDOI: 10.2210/pdb3vbq/pdb
• 関連するPDBエントリー: 3VBT 3VBV 3VBW 3VBX 3VBY 3VC4
• 分子名称: Serine/threonine-protein kinase pim-1, (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (3 entities in total)
• 機能のキーワード: pim1, rossmann fold, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 34876.57

構造登録者

Liu, J. (登録日: 2012-01-02, 公開日: 2012-03-21, 最終更新日: 2024-02-28)

• 主引用文献: Good, A.C.,Liu, J.,Hirth, B.,Asmussen, G.,Xiang, Y.,Biemann, H.P.,Bishop, K.A.,Fremgen, T.,Fitzgerald, M.,Gladysheva, T.,Jain, A.,Jancsics, K.,Metz, M.,Papoulis, A.,Skerlj, R.,Stepp, J.D.,Wei, R.R.; Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.; J.Med.Chem., 55:2641-2648, 2012; PubMed: 22339127; DOI: 10.1021/jm2014698

実験手法

X-RAY DIFFRACTION (1.85 Å)