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TitleParalog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 7569-7578, Year 2017
Publish dateJul 29, 2017 (structure data deposition date)
AuthorsPark, H.K. / Jeong, H. / Ko, E. / Lee, G. / Lee, J.E. / Lee, S.K. / Lee, A.J. / Im, J.Y. / Hu, S. / Kim, S.H. ...Park, H.K. / Jeong, H. / Ko, E. / Lee, G. / Lee, J.E. / Lee, S.K. / Lee, A.J. / Im, J.Y. / Hu, S. / Kim, S.H. / Lee, J.H. / Lee, C. / Kang, S. / Kang, B.H.
External linksJ. Med. Chem. / PubMed:28816449
MethodsX-ray diffraction
Resolution2.4 - 2.7 Å
Structure data

PDB-5y3n:
Structure of TRAP1 complexed with DN401
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5y3o:
Structure of TRAP1 complexed with DN320
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-8MF:
1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine

ChemComp-HOH:
WATER

ChemComp-8M9:
4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

Source
  • homo sapiens (human)
KeywordsCHAPERONE / TRAP1 / Inhibitor / DN401 / Mitochondrial HSP90 / DN320

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