1PH0

Non-carboxylic Acid-Containing Inhibitor of PTP1B Targeting the Second Phosphotyrosine Site

1PH0 の概要

関連するPDBエントリー1ONZ 1ONY 1NL9 1NNY 1N06 1NZ7
分子名称Protein-tyrosine phosphatase, non-receptor type 1, 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER (3 entities in total)
機能のキーワードprotein tyrosine phosphatase 1b, oxalyl-aryl-benzoic acid compound inhibitor, salicylic acid moiety at the second site, 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38043.29
構造登録者
Liu, G.,Xin, Z.,Liang, H.,Abad-Zapatero, C.,Hajduk, P.,Janowick, D.,Szczepankiewicz, B.,Pei, Z.,Hutchins, C.W.,Ballaron, S.J. (登録日: 2003-05-29, 公開日: 2003-07-29, 最終更新日: 2017-10-11)
主引用文献
Liu, G.,Xin, Z.,Liang, H.,Abad-Zapatero, C.,Hajduk, P.J.,Janowick, D.A.,Szczepankiewicz, B.G.,Pei, Z.,Hutchins, C.W.,Ballaron, S.J.,Stashko, M.A.,Lubben, T.H.,Berg, C.E.,Rondinone, C.M.,Trevillyan, J.M.,Jirousek, M.R.
Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands.
J.Med.Chem., 46:3437-3440, 2003
PubMed: 12877578 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm034088d
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 outliers80.7%1.6%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)

Molmil generated image of 1ph0
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Molmil generated image of 1ph0
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Molmil generated image of 1ph0
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