3SX4

Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one

3SX4 の概要

• エントリーDOI: 10.2210/pdb3sx4/pdb
• 関連するPDBエントリー: 3BJM 3NOX 3Q0T 3SWW
• 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: exopeptidase, alpha/beta hydrolase fold, beta barrel, beta propeller, dpp4, dimer, protein:inhibitor complex, aminopeptidase, glycoprotein, membrane, protease, secreted, serine protease, signal- anchor, transmembrane, 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: 2
• 化学式量合計: 179040.40

構造登録者

Klei, H.E. (登録日: 2011-07-14, 公開日: 2011-10-26, 最終更新日: 2023-09-13)

• 主引用文献: Wang, W.,Devasthale, P.,Wang, A.,Harrity, T.,Egan, D.,Morgan, N.,Cap, M.,Fura, A.,Klei, H.E.,Kish, K.,Weigelt, C.,Sun, L.,Levesque, P.,Li, Y.X.,Zahler, R.,Kirby, M.S.,Hamann, L.G.; 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.; Bioorg.Med.Chem.Lett., 21:6646-6651, 2011; PubMed: 21996520; DOI: 10.1016/j.bmcl.2011.09.074

実験手法

X-RAY DIFFRACTION (2.6 Å)