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Structure paper

TitleStructure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Journal, issue, pagesNat Commun, Vol. 9, Page 425-425, Year 2018
Publish dateDec 21, 2016 (structure data deposition date)
AuthorsKhandelwal, A. / Kent, C.N. / Balch, M. / Peng, S. / Mishra, S.J. / Deng, J. / Day, V.W. / Liu, W. / Subramanian, C. / Cohen, M. ...Khandelwal, A. / Kent, C.N. / Balch, M. / Peng, S. / Mishra, S.J. / Deng, J. / Day, V.W. / Liu, W. / Subramanian, C. / Cohen, M. / Holzbeierlein, J.M. / Matts, R. / Blagg, B.S.J.
External linksNat Commun / PubMed:29382832
MethodsX-ray diffraction
Resolution1.693 - 2.7 Å
Structure data

PDB-5uc4:
Hsp90b N-terminal domain with inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5uch:
Hsp90b N-terminal domain with inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.654 Å

PDB-5uci:
Hsp90b N-terminal domain with inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-5ucj:
Hsp90b N-terminal domain with inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.693 Å

Chemicals

ChemComp-83S:
5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-871:
2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile

ChemComp-874:
(2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone

ChemComp-KU3:
(5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone

Source
  • homo sapiens (human)
KeywordsCHAPERONE/INHIBITOR / Hsp90 / inhibitor / CHAPERONE-INHIBITOR complex / Hsp90 inhibitor

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