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Structure paper

TitleDiscovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 4728-, Year 2012
Publish dateApr 4, 2012 (structure data deposition date)
AuthorsGuo, C. / Mcalpine, I. / Zhang, J. / Knighton, D.D. / Kephart, S. / Johnson, M.C. / Li, H. / Bouzida, D. / Yang, A. / Dong, L. ...Guo, C. / Mcalpine, I. / Zhang, J. / Knighton, D.D. / Kephart, S. / Johnson, M.C. / Li, H. / Bouzida, D. / Yang, A. / Dong, L. / Marakovits, J. / Tikhe, J. / Richardson, P. / Guo, L.C. / Kania, R. / Edwards, M.P. / Kraynov, E. / Christensen, J. / Piraino, J. / Lee, J. / Dagostino, E. / Del-Carmen, C. / Deng, Y.L. / Smeal, T. / Murray, B.W.
External linksJ. Med. Chem. / PubMed:22554206
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-4app:
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-N53:
N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PROTEIN KINASE

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