2gmv
From Proteopedia
(New page: 200px<br /> <applet load="2gmv" size="450" color="white" frame="true" align="right" spinBox="true" caption="2gmv, resolution 2.30Å" /> '''PEPCK complex with ...) |
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| - | [[Image:2gmv.gif|left|200px]]<br /> | + | [[Image:2gmv.gif|left|200px]]<br /><applet load="2gmv" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2gmv" size=" | + | |
caption="2gmv, resolution 2.30Å" /> | caption="2gmv, resolution 2.30Å" /> | ||
'''PEPCK complex with a GTP-competitive inhibitor'''<br /> | '''PEPCK complex with a GTP-competitive inhibitor'''<br /> | ||
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==Overview== | ==Overview== | ||
New modifications on the C-8 4-aminobenzyl unit of the previously reported, 3-alkyl-1,8-dibenzylxanthine inhibitors of cPEPCK are presented. The most, active compound reported here is the, 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid amide derivative 2 with, an IC(50) of 0.29+/-0.08 microM. An X-ray analysis of a heteroaromatic, sulfonamide is presented showing a new pi-pi interaction. | New modifications on the C-8 4-aminobenzyl unit of the previously reported, 3-alkyl-1,8-dibenzylxanthine inhibitors of cPEPCK are presented. The most, active compound reported here is the, 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid amide derivative 2 with, an IC(50) of 0.29+/-0.08 microM. An X-ray analysis of a heteroaromatic, sulfonamide is presented showing a new pi-pi interaction. | ||
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| - | ==Disease== | ||
| - | Known disease associated with this structure: Hypoglycemia due to PCK1 deficiency (1) OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=261680 261680]] | ||
==About this Structure== | ==About this Structure== | ||
| - | 2GMV is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with MN, PEP and UN8 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Phosphoenolpyruvate_carboxykinase_(GTP) Phosphoenolpyruvate carboxykinase (GTP)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.1.32 4.1.1.32] Full crystallographic information is available from [http:// | + | 2GMV is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=MN:'>MN</scene>, <scene name='pdbligand=PEP:'>PEP</scene> and <scene name='pdbligand=UN8:'>UN8</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Phosphoenolpyruvate_carboxykinase_(GTP) Phosphoenolpyruvate carboxykinase (GTP)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.1.32 4.1.1.32] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GMV OCA]. |
==Reference== | ==Reference== | ||
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[[Category: xanthine]] | [[Category: xanthine]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 13:55:54 2008'' |
Revision as of 11:55, 23 January 2008
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PEPCK complex with a GTP-competitive inhibitor
Overview
New modifications on the C-8 4-aminobenzyl unit of the previously reported, 3-alkyl-1,8-dibenzylxanthine inhibitors of cPEPCK are presented. The most, active compound reported here is the, 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid amide derivative 2 with, an IC(50) of 0.29+/-0.08 microM. An X-ray analysis of a heteroaromatic, sulfonamide is presented showing a new pi-pi interaction.
About this Structure
2GMV is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32 Full crystallographic information is available from OCA.
Reference
C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase., Pietranico SL, Foley LH, Huby N, Yun W, Dunten P, Vermeulen J, Wang P, Toth K, Ramsey G, Gubler ML, Wertheimer SJ, Bioorg Med Chem Lett. 2007 Jul 15;17(14):3835-9. Epub 2007 May 22. PMID:17532214
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