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TitleDevelopment of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Journal, issue, pagesBioorg. Chem., Vol. 101, Page 103901-103901, Year 2020
Publish dateApr 30, 2020 (structure data deposition date)
AuthorsKim, D. / Kim, S.Y. / Yoon, N.G. / Yun, J. / Hong, K.B. / Lee, C. / Lee, J.H. / Kang, B.H. / Kang, S.
External linksBioorg. Chem. / PubMed:32590225
MethodsX-ray diffraction
Resolution1.7 - 2.59 Å
Structure data

PDB-7c04:
Crystal structure of human Trap1 with DN203492
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7c05:
Crystal structure of human Trap1 with DN203495
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

Chemicals

ChemComp-FEU:
4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine

ChemComp-HOH:
WATER

ChemComp-FE6:
1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine

Source
  • homo sapiens (human)
KeywordsCHAPERONE / TRAP1 / selectivity / mitochondria / Hsp90 / Anticancer / Drug

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