2BUC

Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Tetrahydroisoquinoline Inhibitor

2BUC の概要

• エントリーDOI: 10.2210/pdb2buc/pdb
• 関連するPDBエントリー: 1ORV 1ORW 2BUA
• 分子名称: DIPEPTIDYL PEPTIDASE IV, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
• 機能のキーワード: hydrolase/inhibitor, complex (hydrolase-inhibitor), dpp-iv, diabetes mellitus, drug design, hydrolase, serine protease, aminopeptidase, glycoprotein, protease, signal-anchor, transmembrane, complex, hydrolase-inhibitor complex
• 由来する生物種: SUS SCROFA (PIG)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 347044.98

構造登録者

Nordhoff, S.,Cerezo-Galvez, S.,Feurer, A.,Hill, O.,Matassa, V.G.,Metz, G.,Rummey, C.,Thiemann, M.,Edwards, P.J. (登録日: 2005-06-09, 公開日: 2006-01-23, 最終更新日: 2024-10-16)

主引用文献

Nordhoff, S.,Cerezo-Galvez, S.,Feurer, A.,Hill, O.,Matassa, V.G.,Metz, G.,Rummey, C.,Thiemann, M.,Edwards, P.J.
The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16:1744-1748, 2006

PubMed Abstract: The co-crystal structure of beta-phenethylamine fragment inhibitor 5 bound to DPP-IV revealed that the phenyl ring occupied the proline pocket of the enzyme. This finding provided the basis for a general hypothesis of a reverse binding mode for beta-phenethylamine-based DPP-IV inhibitors. Novel inhibitor design concepts that obviate substrate-like structure-activity relationships (SAR) were thereby enabled, and novel, potent inhibitors were discovered.

PubMed: 16376544
DOI: 10.1016/j.bmcl.2005.11.103

実験手法

X-RAY DIFFRACTION (2.5 Å)