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Structure paper

TitleDiscovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 5704-5709, Year 2014
Publish dateJul 24, 2014 (structure data deposition date)
AuthorsGazzard, L. / Appleton, B. / Chapman, K. / Chen, H. / Clark, K. / Drobnick, J. / Goodacre, S. / Halladay, J. / Lyssikatos, J. / Schmidt, S. ...Gazzard, L. / Appleton, B. / Chapman, K. / Chen, H. / Clark, K. / Drobnick, J. / Goodacre, S. / Halladay, J. / Lyssikatos, J. / Schmidt, S. / Sideris, S. / Wiesmann, C. / Williams, K. / Wu, P. / Yen, I. / Malek, S.
External linksBioorg. Med. Chem. Lett. / PubMed:25453805
MethodsX-ray diffraction
Resolution1.75 - 2.15 Å
Structure data

PDB-4qye:
CHK1 kinase domain in complex with diarylpyrazine compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-4qyf:
CHK1 kinase domain in complex with aminopyrazine compound 13
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-4qyg:
CHK1 kinase domain in complex with diazacarbazole compound 14
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4qyh:
CHK1 kinase domain in complex with diazacarbazole GNE-783
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-3DL:
4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid

ChemComp-HOH:
WATER

ChemComp-3DV:
4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid

ChemComp-3DW:
3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid

ChemComp-3DX:
3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / protein kinase / phosphotransfer catalyst / Transferase-Transferase Inhibitor complex

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