1PYN

DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE

1PYN の概要

• エントリーDOI: 10.2210/pdb1pyn/pdb
• 関連するPDBエントリー: 1NL9 1NNY 1NO6 1NZ7 1ONY 1PHO
• 分子名称: Protein-tyrosine phosphatase, non-receptor type 1, 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID (3 entities in total)
• 機能のキーワード: protein tyrosine phosphatase inhibited with dual site, malonate-containing inhibitor, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side : P18031
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37970.24

構造登録者

Szczepankiewicz, B.G.,Liu, G.,Hajduk, P.J.,Abad-Zapatero, C.,Zhonghua, P.,Lubben, T.,Trevillyan, J.M.,Stashko, M.,Ballaron, S.J.,Liang, H. (登録日: 2003-07-09, 公開日: 2003-09-16, 最終更新日: 2023-08-16)

• 主引用文献: Pei, Z.,Li, X.,Liu, G.,Abad-Zapatero, C.,Lubben, T.,Zhang, T.,Ballaron, S.J.,Hutchins, C.W.,Trevillyan, J.M.,Jirousek, M.R.; Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.; Bioorg.Med.Chem.Lett., 13:3129-3132, 2003; PubMed: 12951078; DOI: 10.1016/S0960-894X(03)00725-X

実験手法

X-RAY DIFFRACTION (2.2 Å)