4K1B

Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

4K1B の概要

• エントリーDOI: 10.2210/pdb4k1b/pdb
• 関連するPDBエントリー: 4K0Y 4K18
• 分子名称: Serine/threonine-protein kinase pim-1, PHOSPHATE ION, N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... (4 entities in total)
• 機能のキーワード: pim-1, kinase domain, ser/thr kinase, atp-competitive, structure-based drug design, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32115.28

構造登録者

Murray, J.M.,Wallweber, H.,Steffek, M. (登録日: 2013-04-04, 公開日: 2013-05-15, 最終更新日: 2024-02-28)

• 主引用文献: Wang, X.,Magnuson, S.,Pastor, R.,Fan, E.,Hu, H.,Tsui, V.,Deng, W.,Murray, J.,Steffek, M.,Wallweber, H.,Moffat, J.,Drummond, J.,Chan, G.,Harstad, E.,Ebens, A.J.; Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.; Bioorg.Med.Chem.Lett., 23:3149-3153, 2013; PubMed: 23623490; DOI: 10.1016/j.bmcl.2013.04.020

実験手法

X-RAY DIFFRACTION (2.082 Å)