3IBE

Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma

3IBE の概要

• エントリーDOI: 10.2210/pdb3ibe/pdb
• 分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea, ... (4 entities in total)
• 機能のキーワード: pi3kinase inhibitor, atp-binding, kinase, nucleotide-binding, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm : P48736
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 111456.89

構造登録者

Bard, J.,Svenson, K. (登録日: 2009-07-15, 公開日: 2009-09-01, 最終更新日: 2023-09-06)

主引用文献

Zask, A.,Verheijen, J.C.,Curran, K.,Kaplan, J.,Richard, D.J.,Nowak, P.,Malwitz, D.J.,Brooijmans, N.,Bard, J.,Svenson, K.,Lucas, J.,Toral-Barza, L.,Zhang, W.G.,Hollander, I.,Gibbons, J.J.,Abraham, R.T.,Ayral-Kaloustian, S.,Mansour, T.S.,Yu, K.
ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines.
J.Med.Chem., 52:5013-5016, 2009

PubMed Abstract: The mammalian target of rapamycin (mTOR), a central regulator of growth, survival, and metabolism, is a validated target for cancer therapy. Rapamycin and its analogues, allosteric inhibitors of mTOR, only partially inhibit one mTOR protein complex. ATP-competitive, global inhibitors of mTOR that have the potential for enhanced anticancer efficacy are described. Structural features leading to potency and selectivity were identified and refined leading to compounds with in vivo efficacy in tumor xenograft models.

PubMed: 19645448
DOI: 10.1021/jm900851f

実験手法

X-RAY DIFFRACTION (2.798 Å)