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Structure paper

TitleA study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 15, Page 9685-9695, Year 2017
Publish dateMay 26, 2017 (structure data deposition date)
AuthorsMukherjee, H. / Debreczeni, J. / Breed, J. / Tentarelli, S. / Aquila, B. / Dowling, J.E. / Whitty, A. / Grimster, N.P.
External linksOrg. Biomol. Chem. / PubMed:29119993
MethodsX-ray diffraction
Resolution1.91 - 2.01 Å
Structure data

PDB-5o49:
Human FGF in complex with a covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-5o4a:
Human FGF in complex with a covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-9K5:
[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-9K8:
[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / FGFR Fibroblast Growth Factor / covalent inhibition / FGFR Fibroblast Grwth Fctr RTK

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