1nhx: Difference between revisions
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==Overview== | ==Overview== | ||
The analysis of the X-ray structures of two xanthine inhibitors bound to | 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. | ||
==Disease== | ==Disease== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Dunten, P.]] | [[Category: Dunten, P.]] | ||
[[Category: Foley, L | [[Category: Foley, L H.]] | ||
[[Category: Gubler, M | [[Category: Gubler, M L.]] | ||
[[Category: Ramsey, G.]] | [[Category: Ramsey, G.]] | ||
[[Category: Wang, P.]] | [[Category: Wang, P.]] | ||
[[Category: Wertheimer, S | [[Category: Wertheimer, S J.]] | ||
[[Category: EDO]] | [[Category: EDO]] | ||
[[Category: FTB]] | [[Category: FTB]] | ||
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[[Category: xanthine]] | [[Category: xanthine]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:06:22 2008'' | ||
Revision as of 12:06, 21 February 2008
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PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR
Overview
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.
Disease
Known disease associated with this structure: Hypoglycemia due to PCK1 deficiency (1) OMIM:[261680]
About this Structure
1NHX is a Single protein structure of sequence from Homo sapiens with MN, NA, PEP, FTB and EDO as ligands. Active as Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32 Full crystallographic information is available from OCA.
Reference
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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