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Structure paper

TitleDiscovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 497-505, Year 2020
Publish dateNov 19, 2018 (structure data deposition date)
AuthorsNewton, R. / Waszkowycz, B. / Seewooruthun, C. / Burschowsky, D. / Richards, M. / Hitchin, S. / Begum, H. / Watson, A. / French, E. / Hamilton, N. ...Newton, R. / Waszkowycz, B. / Seewooruthun, C. / Burschowsky, D. / Richards, M. / Hitchin, S. / Begum, H. / Watson, A. / French, E. / Hamilton, N. / Jones, S. / Lin, L.Y. / Waddell, I. / Echalier, A. / Bayliss, R. / Jordan, A.M. / Ogilvie, D.
External linksAcs Med. Chem. Lett. / PubMed:32292556
MethodsX-ray diffraction
Resolution1.88 - 2.05 Å
Structure data

PDB-6i82:
Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-6i83:
Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

ChemComp-H6W:
~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-FMT:
FORMIC ACID

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-H72:
4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN / inhibitor / kinase / proto-oncogene

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