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TitleCrystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
Journal, issue, pagesACS Med Chem Lett, Vol. 5, Page 138-142, Year 2014
Publish dateJun 3, 2013 (structure data deposition date)
AuthorsZhao, Y. / Zhang, X. / Chen, Y. / Lu, S. / Peng, Y. / Wang, X. / Guo, C. / Zhou, A. / Zhang, J. / Luo, Y. ...Zhao, Y. / Zhang, X. / Chen, Y. / Lu, S. / Peng, Y. / Wang, X. / Guo, C. / Zhou, A. / Zhang, J. / Luo, Y. / Shen, Q. / Ding, J. / Meng, L.
External linksACS Med Chem Lett / PubMed:24900786
MethodsX-ray diffraction
Resolution2.501 - 2.8 Å
Structure data

PDB-4l1b:
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
Method: X-RAY DIFFRACTION / Resolution: 2.586 Å

PDB-4l23:
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
Method: X-RAY DIFFRACTION / Resolution: 2.501 Å

PDB-4l2y:
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-X6K:
3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL

ChemComp-GOL:
GLYCEROL

ChemComp-XXK:
3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol

Source
  • homo sapiens (human)
Keywordssignaling Protein/transferase/Inhibitor / ATP binding / signaling Protein-transferase-Inhibitor complex / PI-103

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