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 Cited by PubMed Abstract: A salicylate second site binder was linked to three classes of phosphotyrosine mimetics to produce potent protein tyrosine phosphatase 1B (PTP1B) inhibitors which exhibit significant selectivity against other phosphatases including the most homologous member, TCPTP. PubMed: 12951078DOI: 10.1016/S0960-894X(03)00725-X 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.2 Å) |
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