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Structure paper

TitleProtein-Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 5003-5012, Year 2012
Publish dateMay 14, 2012 (structure data deposition date)
AuthorsNorman, R.A. / Schott, A.K. / Andrews, D.M. / Breed, J. / Foote, K.M. / Garner, A.P. / Ogg, D. / Orme, J.P. / Pink, J.H. / Roberts, K. ...Norman, R.A. / Schott, A.K. / Andrews, D.M. / Breed, J. / Foote, K.M. / Garner, A.P. / Ogg, D. / Orme, J.P. / Pink, J.H. / Roberts, K. / Rudge, D.A. / Thomas, A.P. / Leach, A.G.
External linksJ. Med. Chem. / PubMed:22612866
MethodsX-ray diffraction
Resolution2.05 - 2.55 Å
Structure data

PDB-4f63:
Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-4f64:
Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-4f65:
Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 8
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

Chemicals

ChemComp-0S7:
5-bromo-N~4~-(3-methyl-1H-pyrazol-5-yl)-N~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-0S8:
5-bromo-N~4~-[3-(3-methoxypropyl)-1H-pyrazol-5-yl]-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

ChemComp-SO4:
SULFATE ION

ChemComp-0S9:
5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / ATP binding / phosphorylation / trans-membrane / TRANSFERASE-TRANSFERASE INHIBITOR complex

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