1PYN

DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE

Summary for 1PYN

Related1NL9 1NNY 1NO6 1NZ7 1ONY 1PHO
DescriptorProtein-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)
Functional Keywordsprotein tyrosine phosphatase inhibited with dual site, malonate-containing inhibitor, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side  P18031
Total number of polymer chains1
Total molecular weight37970.24
Authors
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. (deposition date: 2003-07-09, release date: 2003-09-16, Last modification date: 2017-10-11)
Primary citation
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 (PDB entries with the same primary citation)
DOI: 10.1016/S0960-894X(03)00725-X
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers81.4%3.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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