3C43

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

3C43 の概要

• エントリーDOI: 10.2210/pdb3c43/pdb
• 関連するPDBエントリー: 1x70 2fjp 2hha 2iit 2iiv 2oph 3C45
• 分子名称: Dipeptidyl peptidase 4 soluble form, 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: alpha/beta, beta-propeller, dimer, 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: 2
• 化学式量合計: 175017.20

構造登録者

Scapin, G.,Edmondson, S.D.,Weber, A.E. (登録日: 2008-01-29, 公開日: 2008-04-22, 最終更新日: 2024-11-06)

主引用文献

Edmondson, S.D.,Wei, L.,Xu, J.,Shang, J.,Xu, S.,Pang, J.,Chaudhary, A.,Dean, D.C.,He, H.,Leiting, B.,Lyons, K.A.,Patel, R.A.,Patel, S.B.,Scapin, G.,Wu, J.K.,Beconi, M.G.,Thornberry, N.A.,Weber, A.E.
Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18:2409-2413, 2008

PubMed Abstract: The synthesis, selectivity, rat pharmacokinetic profile, and drug metabolism profiles of a series of potent fluoroolefin-derived DPP-4 inhibitors (4) are reported. A radiolabeled fluoroolefin 33 was shown to possess a high propensity to form reactive metabolites, thus revealing a potential liability for this class of DPP-4 inhibitors.

PubMed: 18331795
DOI: 10.1016/j.bmcl.2008.02.050

実験手法

X-RAY DIFFRACTION (2.3 Å)