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TitleCellular model system to dissect the isoform-selectivity of Akt inhibitors.
Journal, issue, pagesNat Commun, Vol. 12, Page 5297-5297, Year 2021
Publish dateFeb 10, 2021 (structure data deposition date)
AuthorsQuambusch, L. / Depta, L. / Landel, I. / Lubeck, M. / Kirschner, T. / Nabert, J. / Uhlenbrock, N. / Weisner, J. / Kostka, M. / Levy, L.M. ...Quambusch, L. / Depta, L. / Landel, I. / Lubeck, M. / Kirschner, T. / Nabert, J. / Uhlenbrock, N. / Weisner, J. / Kostka, M. / Levy, L.M. / Schultz-Fademrecht, C. / Glanemann, F. / Althoff, K. / Muller, M.P. / Siveke, J.T. / Rauh, D.
External linksNat Commun / PubMed:34489430
MethodsX-ray diffraction
Resolution1.9 - 2.3 Å
Structure data

PDB-7nh4:
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7nh5:
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-UCE:
~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-UC8:
~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Akt1 / Akt2 / Akt3 / covalent-allosteric

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