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Structure paper

TitleAn Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 56, Page 3536-3540, Year 2017
Publish dateDec 5, 2016 (structure data deposition date)
AuthorsPettinger, J. / Le Bihan, Y.V. / Widya, M. / van Montfort, R.L. / Jones, K. / Cheeseman, M.D.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:28225177
MethodsX-ray diffraction
Resolution1.87 - 1.99 Å
Structure data

PDB-5mkr:
HSP72-NBD bound to compound TCI 8 - Tyr15 in up-conformation
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-5mks:
HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-TI8:
3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate

ChemComp-FLC:
CITRATE ANION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCHAPERONE / Irreversible Inhibitor / Lysine modification

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