3OCB

Akt1 kinase domain with pyrrolopyrimidine inhibitor

3OCB の概要

• エントリーDOI: 10.2210/pdb3ocb/pdb
• 分子名称: v-akt murine thymoma viral oncogene homolog 1 (AKT1), GSK 3 beta peptide, (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, ... (4 entities in total)
• 機能のキーワード: serine-threonine kinase, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 81978.16

構造登録者

Morales, T.H.,Vigers, G.P.A.,Brandhuber, B.J. (登録日: 2010-08-09, 公開日: 2010-09-15, 最終更新日: 2024-11-06)

主引用文献

Blake, J.F.,Kallan, N.C.,Xiao, D.,Xu, R.,Bencsik, J.R.,Skelton, N.J.,Spencer, K.L.,Mitchell, I.S.,Woessner, R.D.,Gloor, S.L.,Risom, T.,Gross, S.D.,Martinson, M.,Morales, T.H.,Vigers, G.P.,Brandhuber, B.J.
Discovery of pyrrolopyrimidine inhibitors of Akt.
Bioorg.Med.Chem.Lett., 20:5607-5612, 2010

PubMed Abstract: The discovery and optimization of a series of pyrrolopyrimidine based protein kinase B (Pkb/Akt) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent inhibition of all three Akt isoforms and knockdown of phospho-PRAS40 levels in LNCaP cells and tumor xenografts.

PubMed: 20810279
DOI: 10.1016/j.bmcl.2010.08.053

実験手法

X-RAY DIFFRACTION (2.7 Å)