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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 21, 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
Resolution2.15 - 2.2 Å
Structure data

PDB-4px2:
Human GKRP bound to AMG2882 and Sorbitol-6-Phosphate
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-4px5:
Human GKRP bound to AMG-0696 and Sorbitol-6-phosphate
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-2WY:
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

ChemComp-S6P:
D-SORBITOL-6-PHOSPHATE

ChemComp-IOD:
IODIDE ION

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-2WZ:
N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide

Source
  • homo sapiens (human)
Keywordssugar binding protein/inhibitor / SIS domain containing protein / Regulatory protein - Binds to and inhibits Glucokinase / Glucokinase / sugar binding protein-inhibitor complex

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