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Structure paper

TitleDiscovery and characterization of novel allosteric FAK inhibitors.
Journal, issue, pagesEur. J. Med. Chem., Vol. 61, Page 49-60, Year 2013
Publish dateMar 25, 2012 (structure data deposition date)
AuthorsIwatani, M. / Iwata, H. / Okabe, A. / Skene, R.J. / Tomita, N. / Hayashi, Y. / Aramaki, Y. / Hosfield, D.J. / Hori, A. / Baba, A. / Miki, H.
External linksEur. J. Med. Chem. / PubMed:22819505
MethodsX-ray diffraction
Resolution1.67 - 2.65 Å
Structure data

PDB-4ebv:
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-4ebw:
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-0O7:
8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide

ChemComp-IPA:
ISOPROPYL ALCOHOL

ChemComp-HOH:
WATER

ChemComp-0PF:
1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase Domain / Allosteric inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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