3G0C

Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1

Summary for 3G0C

• Entry DOI: 10.2210/pdb3g0c/pdb
• Related: 3G0B 3G0D 3G0G
• Descriptor: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ... (5 entities in total)
• Functional Keywords: dpp4, pyrimidinone, pyrimidindione, aminopeptidase, cell membrane, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, signal-anchor, transmembrane, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 349435.68

Authors

Zhang, Z.,Wallace, M.B.,Feng, J.,Stafford, J.A.,Kaldor, S.W.,Shi, L.,Skene, R.J.,Aertgeerts, K.,Lee, B.,Jennings, A.,Xu, R.,Kassel, D.,Webb, D.R.,Gwaltney, S.L. (deposition date: 2009-01-27, release date: 2010-02-16, Last modification date: 2024-11-20)

Primary citation

Zhang, Z.,Wallace, M.B.,Feng, J.,Stafford, J.A.,Skene, R.J.,Shi, L.,Lee, B.,Aertgeerts, K.,Jennings, A.,Xu, R.,Kassel, D.B.,Kaldor, S.W.,Navre, M.,Webb, D.R.,Gwaltney, S.L.
Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54:510-524, 2011

PubMed Abstract: The discovery of two classes of heterocyclic dipeptidyl peptidase IV (DPP-4) inhibitors, pyrimidinones and pyrimidinediones, is described. After a single oral dose, these potent, selective, and noncovalent inhibitors provide sustained reduction of plasma DPP-4 activity and lowering of blood glucose in animal models of diabetes. Compounds 13a, 27b, and 27j were selected for development.

PubMed: 21186796
DOI: 10.1021/jm101016w

Experimental method

X-RAY DIFFRACTION (2.69 Å)