3VJL

Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2

Summary for 3VJL

• Entry DOI: 10.2210/pdb3vjl/pdb
• Related: 3VJK 3VJM
• Descriptor: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, [(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone, ... (5 entities in total)
• Functional Keywords: alpha/beta, beta-propeller, aminopeptidase, serine protease, signal-anchor, transmembrane, diabetes, glycoprotein, cell membrane, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 176168.44

Authors

Akahoshi, F.,Kishida, H.,Miyaguchi, I.,Yoshida, T.,Ishii, S. (deposition date: 2011-10-24, release date: 2012-10-24, Last modification date: 2023-11-08)

• Primary citation: Yoshida, T.,Akahoshi, F.,Sakashita, H.,Kitajima, H.,Nakamura, M.,Sonda, S.,Takeuchi, M.,Tanaka, Y.,Ueda, N.,Sekiguchi, S.,Ishige, T.,Shima, K.,Nabeno, M.,Abe, Y.,Anabuki, J.,Soejima, A.,Yoshida, K.,Takashina, Y.,Ishii, S.,Kiuchi, S.,Fukuda, S.,Tsutsumiuchi, R.,Kosaka, K.,Murozono, T.,Nakamaru, Y.,Utsumi, H.,Masutomi, N.,Kishida, H.,Miyaguchi, I.,Hayashi, Y.; Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes; Bioorg.Med.Chem., 20:5705-5719, 2012; PubMed: 22959556; DOI: 10.1016/j.bmc.2012.08.012

Experimental method

X-RAY DIFFRACTION (2.393 Å)