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Structure paper

Title2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 908-911, Year 2009
Publish dateOct 23, 2008 (structure data deposition date)
AuthorsTrujillo, J.I. / Kiefer, J.R. / Huang, W. / Thorarensen, A. / Xing, L. / Caspers, N.L. / Day, J.E. / Mathis, K.J. / Kretzmer, K.K. / Reitz, B.A. ...Trujillo, J.I. / Kiefer, J.R. / Huang, W. / Thorarensen, A. / Xing, L. / Caspers, N.L. / Day, J.E. / Mathis, K.J. / Kretzmer, K.K. / Reitz, B.A. / Weinberg, R.A. / Stegeman, R.A. / Wrightstone, A. / Christine, L. / Compton, R. / Li, X.
External linksBioorg. Med. Chem. Lett. / PubMed:19097791
MethodsX-ray diffraction
Resolution1.9 - 2.4 Å
Structure data

PDB-3ezr:
CDK-2 with indazole inhibitor 17 bound at its active site
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3ezv:
CDK-2 with indazole inhibitor 9 bound at its active site
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-3f5x:
CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-EZR:
3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline

ChemComp-HOH:
WATER

ChemComp-EZV:
4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/Transferase inhibitor / KINASE / PKC / PROTEIN KINASE / INHIBITOR / ATP-binding / Cell cycle / Cell division / Mitosis / Nucleotide-binding / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase / Transferase-Transferase inhibitor complex / TRANSFERASE / Transferase/Cell cycle / Cyclin / Nucleus / Transferase-Cell cycle COMPLEX

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