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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DOI10.2210/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
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: 12951078
DOI: 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)
構造検証レポート
Validation report summary of 1pyn
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-07-30に公開中

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