4J3J

Crystal Structure of DPP-IV with Compound C3

4J3J の概要

• エントリーDOI: 10.2210/pdb4j3j/pdb
• 分子名称: Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide (2 entities in total)
• 機能のキーワード: inhibitor complex, serine exopeptidase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Dipeptidyl peptidase 4 soluble form: Secreted. Cell membrane; Single-pass type II membrane protein: P27487
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 169793.99

構造登録者

Xiong, B.,Zhu, L.R.,Chen, D.Q.,Zhao, Y.L.,Jiang, F.,Shen, J.K. (登録日: 2013-02-05, 公開日: 2014-02-05, 最終更新日: 2023-11-08)

• 主引用文献: Zhu, L.,Li, Y.,Qiu, L.,Su, M.,Wang, X.,Xia, C.,Qu, Y.,Li, J.,Li, J.,Xiong, B.,Shen, J.; Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors; Chemmedchem, 8:1104-1116, 2013; PubMed: 23671024; DOI: 10.1002/cmdc.201300104

実験手法

X-RAY DIFFRACTION (3.2 Å)