5ISM

Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor

Summary for 5ISM

• Entry DOI: 10.2210/pdb5ism/pdb
• Related: 5I7U
• Descriptor: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
• Functional Keywords: structure-based drug design, diabetes, dpp4 inhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 173574.69

Authors

Scapin, G. (deposition date: 2016-03-15, release date: 2016-05-11, Last modification date: 2020-07-29)

• Primary citation: Cox, J.M.,Chu, H.D.,Kuethe, J.T.,Gao, Y.D.,Scapin, G.,Eiermann, G.,He, H.,Li, X.,Lyons, K.A.,Metzger, J.,Petrov, A.,Wu, J.K.,Xu, S.,Sinha-Roy, R.,Weber, A.E.,Biftu, T.; The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors.; Bioorg.Med.Chem.Lett., 26:2622-2626, 2016; PubMed: 27106708; DOI: 10.1016/j.bmcl.2016.04.020

Experimental method

X-RAY DIFFRACTION (2 Å)