1XBO

PTP1B complexed with Isoxazole Carboxylic Acid

Summary for 1XBO

• Entry DOI: 10.2210/pdb1xbo/pdb
• Related: 1NL9 1NNY 1NO6 1NZZ 1ONY 1ONZ
• Descriptor: Protein-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 Keywords: protein tyrosine phosphatase 1b, ptp1b, isoxazole carboxylic acid, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Endoplasmic reticulum membrane ; Peripheral membrane protein ; Cytoplasmic side : P18031
• Total number of polymer chains: 1
• Total formula weight: 37791.03

Authors

Zhao, H.,Liu, G.,Xin, Z.,Serby, M.,Pei, Z.,Szczepankiewicz, B.G.,Hajduk, P.J.,Abad-Zapatero, C.,Hutchins, C.W.,Lubben, T.H.,Ballaron, S.J.,Hassach, D.L.,Kaszubska, W.,Rondinone, C.M.,Trevillyan, J.M.,Jirousek, M.R. (deposition date: 2004-08-31, release date: 2004-10-19, Last modification date: 2023-08-23)

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 Abstract: Guided by X-ray crystallography, we have extended the structure-activity relationship (SAR) study on an isoxazole carboxylic acid-based PTP1B inhibitor (1) and more potent and equally selective (>20-fold selectivity over the highly homologous T-cell PTPase, TCPTP) PTP1B inhibitors were identified. Inhibitor 7 demonstrated good cellular activity against PTP1B in COS 7 cells.

PubMed: 15482920
DOI: 10.1016/j.bmcl.2004.08.063

Experimental method

X-RAY DIFFRACTION (2.5 Å)