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Structure paper

TitleFragment screening using capillary electrophoresis (CEfrag) for hit identification of heat shock protein 90 ATPase inhibitors.
Journal, issue, pagesJ Biomol Screen, Vol. 17, Page 868-876, Year 2012
Publish dateMar 30, 2012 (structure data deposition date)
AuthorsAustin, C. / Pettit, S.N. / Magnolo, S.K. / Sanvoisin, J. / Chen, W. / Wood, S.P. / Freeman, L.D. / Pengelly, R.J. / Hughes, D.E.
External linksJ Biomol Screen / PubMed:22573733
MethodsX-ray diffraction
Resolution1.6 - 1.79 Å
Structure data

PDB-4egh:
Hsp90-alpha ATPase domain in complex with (4-Hydroxyphenyl)morpholin-4-yl methanone
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4egi:
Hsp90-alpha ATPase domain in complex with 2-Amino-4-ethylthio-6-methyl-1,3,5-triazine
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-4egk:
Human Hsp90-alpha ATPase domain bound to Radicicol
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-0OY:
(4-hydroxyphenyl)(morpholin-4-yl)methanone

ChemComp-HOH:
WATER

ChemComp-B2J:
4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine

ChemComp-RDC:
RADICICOL

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Bergerat Fold / Hydrolase / ATP binding / HYDROLASE-HYDROLASE INHIBITOR complex

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