3D4L

Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor

Summary for 3D4L

• Entry DOI: 10.2210/pdb3d4l/pdb
• Descriptor: Dipeptidyl peptidase 4 soluble form, 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: alpha/beta, beta-propeller, dimer, aminopeptidase, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, signal-anchor, transmembrane
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 174827.90

Authors

Scapin, G. (deposition date: 2008-05-14, release date: 2008-07-01, Last modification date: 2024-10-30)

Primary citation

Liang, G.B.,Qian, X.,Biftu, T.,Singh, S.,Gao, Y.D.,Scapin, G.,Patel, S.,Leiting, B.,Patel, R.,Wu, J.,Zhang, X.,Thornberry, N.A.,Weber, A.E.
Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.
Bioorg.Med.Chem.Lett., 18:3706-3710, 2008

PubMed Abstract: Probing with tool molecules, and by modeling and X-ray crystallography the binding modes of two structurally distinct series of DPP-4 inhibitors led to the discovery of a rare aromatic fluorine H-bond and the spatial requirement for better biaryl binding in the DPP-4 enzyme active site. These newly found binding elements were successfully incorporated into novel DPP-4 inhibitors.

PubMed: 18524582
DOI: 10.1016/j.bmcl.2008.05.061

Experimental method

X-RAY DIFFRACTION (2 Å)