3CCC

Crystal Structure of Human DPP4 in complex with a benzimidazole derivative

Summary for 3CCC

Entry DOI	10.2210/pdb3ccc/pdb
Related	3CCB
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, ... (5 entities in total)
Functional Keywords	structure-based design, denzimidazole derivatives, peptidase, aminopeptidase, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, signal-anchor, transmembrane
Biological source	Homo sapiens (human)
Total number of polymer chains	4
Total formula weight	348642.90
Authors	Wallace, M.B.,Skene, R.J. (deposition date: 2008-02-25, release date: 2008-10-21, Last modification date: 2024-11-13)
Primary citation	Wallace, M.B.,Feng, J.,Zhang, Z.,Skene, R.J.,Shi, L.,Caster, C.L.,Kassel, D.B.,Xu, R.,Gwaltney, S.L. Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 18:2362-2367, 2008 Cited by PubMed Abstract: A novel series of non-covalent, benzimidazole-based inhibitors of DPP-4 has been developed from a small fragment hit using structure-based drug design. A highly versatile synthetic route was created for the development of SAR, which led to the discovery of potent and selective inhibitors with excellent pharmaceutical properties. PubMed: 18346892 DOI: 10.1016/j.bmcl.2008.02.071 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.71 Å)

Structure validation