1NNY

Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy

1NNY の概要

関連するPDBエントリー1NL9 1NO6
分子名称Protein-tyrosine phosphatase, non-receptor type 1, 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID (3 entities in total)
機能のキーワードprotein tyrosine phosphatase fold, dual-site oxamic acid inhibitor bound to p-loop, 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
ポリマー鎖数1
分子量合計38085.37
構造登録者
主引用文献
Szczepankiewicz, B.G.,Liu, G.,Hajduk, P.J.,Abad-Zapatero, C.,Pei, Z.,Xin, Z.,Lubben, T.,Trevillyan, J.M.,Stashko, M.A.,Ballaron, S.J.,Liang, H.,Huang, F.,Hutchins, C.W.,Fesik, S.W.,Jirousek, M.R.
Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125:4087-4096, 2003
PubMed: 12670229 (主引用文献が同じPDBエントリー)
DOI: 10.1021/ja0296733
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.4 Å)
NMR情報
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構造検証レポート

ClashscoreRamachandran outliersSidechain outliers150.4%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
検証レポート(詳細版)をダウンロード

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