1NL9

Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy

Summary for 1NL9

Related1NNY 1NO6
DescriptorProtein-tyrosine phosphatase, non-receptor type 1, 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID (3 entities in total)
Functional Keywordsprotein tyrosine phosphatase fold, dual-site oxamic acid inhibitor bound to p-loop, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side  P18031
Total number of polymer chains1
Total molecular weight37899.21
Authors
Primary citation
Szczepankiewicz, B.G.,Liu, G.,Hajduk, P.J.,Abad-Zapatero, C.,Pei, Z.,Xin, Z.,Lubben, T.,Trevillyan, J.M.,Stashko, M.A.,Ballaron, S.J.,Liang, H.,Huang, F.,Hutchins, C.W.,Fesik, S.W.,Jirousek, M.R.
Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125:4087-4096, 2003
PubMed: 12670229 (PDB entries with the same primary citation)
DOI: 10.1021/ja0296733
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers70.4%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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