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

Summary for 1PH0

Related1ONZ 1ONY 1NL9 1NNY 1N06 1NZ7
DescriptorProtein-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)
Functional Keywordsprotein tyrosine phosphatase 1b, oxalyl-aryl-benzoic acid compound inhibitor, salicylic acid moiety at the second site, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side  P18031
Total number of polymer chains1
Total molecular weight38043.29
Liu, G.,Xin, Z.,Liang, H.,Abad-Zapatero, C.,Hajduk, P.,Janowick, D.,Szczepankiewicz, B.,Pei, Z.,Hutchins, C.W.,Ballaron, S.J. (deposition date: 2003-05-29, release date: 2003-07-29, Last modification date: 2017-10-11)
Primary citation
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 (PDB entries with the same primary citation)
DOI: 10.1021/jm034088d
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers80.7%1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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