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

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
ポリマー鎖数1
分子量合計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
PubMed: 12951078 (主引用文献が同じPDBエントリー)
DOI: 10.1016/S0960-894X(03)00725-X
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.2 Å)
NMR情報
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構造検証レポート

ClashscoreRamachandran outliersSidechain outliers81.4%3.9%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

他の静止画像(非対称単位)

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