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Structure paper

TitleAminofurazans as potent inhibitors of AKT kinase
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 1508-1511, Year 2009
Publish dateAug 19, 2008 (structure data deposition date)
AuthorsRouse, M.B. / Seefeld, M.A. / Leber, J.D. / McNulty, K.C. / Sun, L. / Miller, W.H. / Zhang, S. / Minthorn, E.A. / Concha, N.O. / Choudhry, A.E. ...Rouse, M.B. / Seefeld, M.A. / Leber, J.D. / McNulty, K.C. / Sun, L. / Miller, W.H. / Zhang, S. / Minthorn, E.A. / Concha, N.O. / Choudhry, A.E. / Schaber, M.D. / Heerding, D.A.
External linksBioorg. Med. Chem. Lett. / PubMed:19179070
MethodsX-ray diffraction
Resolution2 - 2.7 Å
Structure data

PDB-3e87:
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3e88:
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3e8c:
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3e8d:
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-3e8e:
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-G95:
N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-G96:
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

ChemComp-G98:
4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

Source
  • homo sapiens (human)
  • bos taurus (domestic cattle)
KeywordsTRANSFERASE / AKT2 / kinase / GSK3 beta / ATP-binding / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase / Wnt signaling pathway / PKA / PKI / bovine / inhibitor / cAMP / Lipoprotein / Myristate / Nucleus / Protein kinase inhibitor

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