1m51
PEPCK complex with a GTP-competitive inhibitor
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OverviewOverview
The analysis of the X-ray structures of two xanthine inhibitors bound to, PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are, reported. The SAR at N-1, N-7 and developing SAR at C-8 are consistent, with information gained from the X-ray structures of compounds 1 and 2, bound to PEPCK. Representative N-3 modifications of compound 2 that led to, the discovery of 3-cyclopropylmethyl and its carboxy analogue as optimal, N-3 groups are presented.
DiseaseDisease
Known disease associated with this structure: Hypoglycemia due to PCK1 deficiency (1) OMIM:[261680]
About this StructureAbout this Structure
1M51 is a Single protein structure of sequence from Homo sapiens with MN, ACT, TSX and EDO as ligands. Active as Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32 Full crystallographic information is available from OCA.
ReferenceReference
X-ray structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-dibenzylxanthines., Foley LH, Wang P, Dunten P, Ramsey G, Gubler ML, Wertheimer SJ, Bioorg Med Chem Lett. 2003 Nov 3;13(21):3871-4. PMID:14552798
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