2HHA

The structure of DPP4 in complex with an oxadiazole inhibitor

Summary for 2HHA

• Entry DOI: 10.2210/pdb2hha/pdb
• Descriptor: Hypothetical protein DPP4, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
• Functional Keywords: hydrolase, alpha/beta, beta-propeller, dimer
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 174880.03

Authors

Scapin, G. (deposition date: 2006-06-28, release date: 2006-09-19, Last modification date: 2024-10-30)

Primary citation

Xu, J.,Wei, L.,Mathvink, R.J.,Edmondson, S.D.,Eiermann, G.J.,He, H.,Leone, J.F.,Leiting, B.,Lyons, K.A.,Marsilio, F.,Patel, R.A.,Patel, S.B.,Petrov, A.,Scapin, G.,Wu, J.K.,Thornberry, N.A.,Weber, A.E.
Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16:5373-5377, 2006

PubMed Abstract: A novel series of oxadiazole based amides have been shown to be potent DPP-4 inhibitors. The optimized compound 43 exhibited excellent selectivity over a variety of DPP-4 homologs.

PubMed: 16919457
DOI: 10.1016/j.bmcl.2006.07.061

Experimental method

X-RAY DIFFRACTION (2.35 Å)