4G1F

Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue

4G1F の概要

• エントリーDOI: 10.2210/pdb4g1f/pdb
• 分子名称: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, ... (5 entities in total)
• 機能のキーワード: protease, 8-bladed beta-propeller domain, aminopeptidase, cell membrane, glycoprotein, hydrolase, secreted, serine protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 349441.22

構造登録者

Skene, R.J.,Gwaltney, S.L. (登録日: 2012-07-10, 公開日: 2013-02-27, 最終更新日: 2024-11-06)

主引用文献

Lam, B.,Zhang, Z.,Stafford, J.A.,Skene, R.J.,Shi, L.,Gwaltney, S.L.
Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 22:6628-6631, 2012

PubMed Abstract: Dipeptidyl peptidase IV (DPP-4) inhibitors have been shown to enhance GLP-1 levels and thereby improve hyperglycemia in type II diabetes. From a small fragment hit, using structure-based design, we have discovered a new class of non-covalent, potent and selective DPP-4 inhibitors.

PubMed: 23025999
DOI: 10.1016/j.bmcl.2012.08.110

実験手法

X-RAY DIFFRACTION (2.9 Å)