3CCC

Crystal Structure of Human DPP4 in complex with a benzimidazole derivative

3CCC の概要

• エントリーDOI: 10.2210/pdb3ccc/pdb
• 関連するPDBエントリー: 3CCB
• 分子名称: 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)
• 機能のキーワード: structure-based design, denzimidazole derivatives, peptidase, aminopeptidase, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, signal-anchor, transmembrane
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 348642.90

構造登録者

Wallace, M.B.,Skene, R.J. (登録日: 2008-02-25, 公開日: 2008-10-21, 最終更新日: 2024-11-13)

主引用文献

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

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

実験手法

X-RAY DIFFRACTION (2.71 Å)