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Structure paper

TitlePyrazolone based TGFbetaR1 kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 326-329, Year 2010
Publish dateOct 21, 2009 (structure data deposition date)
AuthorsGuckian, K. / Carter, M.B. / Lin, E.Y. / Choi, M. / Sun, L. / Boriack-Sjodin, P.A. / Chuaqui, C. / Lane, B. / Cheung, K. / Ling, L. / Lee, W.C.
External linksBioorg. Med. Chem. Lett. / PubMed:19914068
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-3kcf:
Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-JZO:
4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / KINASE / TGFBETARI / STRUCTURE-BASED DRUG DESIGN / PROTEIN-INHIBITOR COMPLEX / Aortic aneurysm / ATP-binding / Craniosynostosis / Disease mutation / Disulfide bond / Glycoprotein / Magnesium / Manganese / Membrane / Metal-binding / Nucleotide-binding / Phosphoprotein / Polymorphism / Receptor / Serine/threonine-protein kinase / Transmembrane

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