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Structure paper

TitleDiscovery of novel 7-azaindoles as PDK1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 3073-3080, Year 2016
Publish dateJan 14, 2016 (structure data deposition date)
AuthorsWucherer-Plietker, M. / Merkul, E. / Muller, T.J. / Esdar, C. / Knochel, T. / Heinrich, T. / Buchstaller, H.P. / Greiner, H. / Dorsch, D. / Finsinger, D. ...Wucherer-Plietker, M. / Merkul, E. / Muller, T.J. / Esdar, C. / Knochel, T. / Heinrich, T. / Buchstaller, H.P. / Greiner, H. / Dorsch, D. / Finsinger, D. / Calderini, M. / Bruge, D. / Gradler, U.
External linksBioorg. Med. Chem. Lett. / PubMed:27217002
MethodsX-ray diffraction
Resolution2.1 - 3.01 Å
Structure data

PDB-5hkm:
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5hng:
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
Method: X-RAY DIFFRACTION / Resolution: 3.01 Å

PDB-5ho7:
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-5ho8:
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-61Y:
4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

ChemComp-HOH:
WATER

ChemComp-62O:
6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole

ChemComp-63L:
5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide

ChemComp-63E:
4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PDK1 inhibitor

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