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Structure paper

TitleDiscovery and Structure-Guided Optimization of Diarylmethanesulfonamide Disruptors of GK-GKRP Binding.
Journal, issue, pagesTo be Published
Publish dateMar 24, 2014 (structure data deposition date)
AuthorsPennington, L.D. / Bartberger, M.D. / Croghan, M.D. / Andrews, K.L. / Ashton, K.S. / Bourbeau, M.P. / Chen, J. / Chmait, S. / Cupples, R. / Fotsch, C.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-4pxs:
Human GKRP bound to AMG-0265 (N-[(R)-(2-CHLOROPHENYL){7-[4-(2-HYDROXYPROPAN-2-YL) PYRIDIN-2-YL]-1-BENZOTHIOPHEN-2-YL}METHYL]CYCLOPROPANESULFONAMIDE) and Sorbitol-6-phosphate
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-2Y6:
N-[(R)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide

ChemComp-S6P:
D-SORBITOL-6-PHOSPHATE

ChemComp-IOD:
IODIDE ION

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / SIS domain containing protein / GKRP binds to and inhibits Glucokinase activity / Glucokinase / Liver / transferase-transferase inhibitor complex

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