PTP1B complexed with Isoxazole Carboxylic Acid

Summary for 1XBO

Related1NL9 1NNY 1NO6 1NZZ 1ONY 1ONZ
DescriptorProtein-tyrosine phosphatase, non-receptor type 1, 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID (3 entities in total)
Functional Keywordsprotein tyrosine phosphatase 1b, ptp1b, isoxazole carboxylic acid, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side  P18031
Total number of polymer chains1
Total molecular weight37791.03
Primary citation
Zhao, H.,Liu, G.,Xin, Z.,Serby, M.D.,Pei, Z.,Szczepankiewicz, B.G.,Hajduk, P.J.,Abad-Zapatero, C.,Hutchins, C.W.,Lubben, T.H.,Ballaron, S.J.,Haasch, D.L.,Kaszubska, W.,Rondinone, C.M.,Trevillyan, J.M.,Jirousek, M.R.
Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Bioorg.Med.Chem.Lett., 14:5543-5546, 2004
PubMed: 15482920 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2004.08.063
MImport into Mendeley
Experimental method
NMR Information

Structure validation

ClashscoreRamachandran outliersSidechain outliers91.0%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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