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Structure paper

TitleSecond Generation Grp94-Selective Inhibitors Provide Opportunities for the Inhibition of Metastatic Cancer.
Journal, issue, pagesChemistry, Vol. 23, Page 15775-15782, Year 2017
Publish dateAug 16, 2017 (structure data deposition date)
AuthorsCrowley, V.M. / Huard, D.J.E. / Lieberman, R.L. / Blagg, B.S.J.
External linksChemistry / PubMed:28857290
MethodsX-ray diffraction
Resolution2.764 - 2.87 Å
Structure data

PDB-6aol:
Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
Method: X-RAY DIFFRACTION / Resolution: 2.764 Å

PDB-6aom:
Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate
Method: X-RAY DIFFRACTION / Resolution: 2.87 Å

Chemicals

ChemComp-VC1:
methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate

ChemComp-P33:
3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-VC5:
methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • canis lupus familiaris (dog)
KeywordsCHAPERONE/INHIBITOR / Grp94 / Hsp90 / chaperone-inhibitor complex

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