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TitleDesign, synthesis and SAR of novel glucokinase activators.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 2166-2171, Year 2013
Publish dateJan 16, 2013 (structure data deposition date)
AuthorsCheruvallath, Z.S. / Gwaltney, S.L. / Sabat, M. / Tang, M. / Feng, J. / Wang, H. / Miura, J. / Guntupalli, P. / Jennings, A. / Hosfield, D. ...Cheruvallath, Z.S. / Gwaltney, S.L. / Sabat, M. / Tang, M. / Feng, J. / Wang, H. / Miura, J. / Guntupalli, P. / Jennings, A. / Hosfield, D. / Lee, B. / Wu, Y.
External linksBioorg. Med. Chem. Lett. / PubMed:23434031
MethodsX-ray diffraction
Resolution1.78 - 2.645 Å
Structure data

PDB-4ise:
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-4isf:
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-4isg:
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
Method: X-RAY DIFFRACTION / Resolution: 2.645 Å

Chemicals

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-1FW:
(2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide

ChemComp-IOD:
IODIDE ION

ChemComp-HOH:
WATER

ChemComp-1FX:
(2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide

ChemComp-1FY:
(2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE ACTIVATOR / transferase/activator activity / glucose conversion to G6P / phosphorylation / TRANSFERASE-TRANSFERASE ACTIVATOR complex

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