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Structure paper

TitleExploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 4625-, Year 2016
Publish dateSep 22, 2015 (structure data deposition date)
AuthorsCheeseman, M.D. / Westwood, I.M. / Barbeau, O. / Rowlands, M.G. / Dobson, S. / Jones, A.M. / Jeganathan, F. / Burke, R. / Kadi, N. / Workman, P. ...Cheeseman, M.D. / Westwood, I.M. / Barbeau, O. / Rowlands, M.G. / Dobson, S. / Jones, A.M. / Jeganathan, F. / Burke, R. / Kadi, N. / Workman, P. / Collins, I. / Van Montfort, R.L.M. / Jones, K.
External linksJ. Med. Chem. / PubMed:27119979
MethodsX-ray diffraction
Resolution1.65 - 1.9 Å
Structure data

PDB-5aqz:
HSP72 with adenosine-derived inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-5ar0:
HSP72 with adenosine-derived inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-SGV:
SANGIVAMYCIN / inhibitor*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-GB8:
(2R,3R,4S,5R)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

ChemComp-GOL:
GLYCEROL

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

ChemComp-CL:
Unknown entry

Source
  • homo sapiens (human)
KeywordsCHAPERONE / HEAT SHOCK PROTEIN / HSP70 / HSP72 / ATPASE / ADENOSINE / INHIBITOR

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