2GMV

PEPCK complex with a GTP-competitive inhibitor

Summary for 2GMV

• Entry DOI: 10.2210/pdb2gmv/pdb
• Related: 1KHB 1M51 1NHX
• Descriptor: Phosphoenolpyruvate carboxykinase, cytosolic, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... (5 entities in total)
• Functional Keywords: gluconeogenesis, xanthine, inhibitor, lyase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 140070.98

Authors

Dunten, P. (deposition date: 2006-04-07, release date: 2007-05-29, Last modification date: 2024-02-14)

Primary citation

Pietranico, S.L.,Foley, L.H.,Huby, N.,Yun, W.,Dunten, P.,Vermeulen, J.,Wang, P.,Toth, K.,Ramsey, G.,Gubler, M.L.,Wertheimer, S.J.
C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase.
Bioorg.Med.Chem.Lett., 17:3835-3839, 2007

PubMed Abstract: 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.

PubMed: 17532214
DOI: 10.1016/j.bmcl.2007.05.013

Experimental method

X-RAY DIFFRACTION (2.3 Å)