2I03

Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279)

2I03 の概要

• エントリーDOI: 10.2210/pdb2i03/pdb
• 関連するPDBエントリー: 2G5P 2G5T 2G63
• 分子名称: Dipeptidyl peptidase 4, 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID (3 entities in total)
• 機能のキーワード: enzyme, serine peptidase, hydrolase
• 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: 4
• 化学式量合計: 337408.83

構造登録者

Longenecker, K.L.,Madar, D.J. (登録日: 2006-08-09, 公開日: 2006-12-12, 最終更新日: 2017-10-18)

• 主引用文献: Madar, D.J.,Kopecka, H.,Pireh, D.,Yong, H.,Pei, Z.,Li, X.,Wiedeman, P.E.,Djuric, S.W.,Von Geldern, T.W.,Fickes, M.G.,Bhagavatula, L.,McDermott, T.,Wittenberger, S.,Richards, S.J.,Longenecker, K.L.,Stewart, K.D.,Lubben, T.H.,Ballaron, S.J.,Stashko, M.A.,Long, M.A.,Wells, H.,Zinker, B.A.,Mika, A.K.,Beno, D.W.,Kempf-Grote, A.J.,Polakowski, J.,Segreti, J.,Reinhart, G.A.,Fryer, R.M.,Sham, H.L.,Trevillyan, J.M.; Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes.; J.Med.Chem., 49:6416-6420, 2006; PubMed: 17034148; DOI: 10.1021/jm060777o

実験手法

X-RAY DIFFRACTION (2.4 Å)