3CWE

PTP1B in complex with a phosphonic acid inhibitor

Summary for 3CWE

Entry DOI	10.2210/pdb3cwe/pdb
Descriptor	Tyrosine-protein phosphatase non-receptor type 1, MAGNESIUM ION, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid, ... (4 entities in total)
Functional Keywords	phosphatase, phosphonates, diabetes, inhibitor, acetylation, endoplasmic reticulum, hydrolase, membrane, oxidation, phosphoprotein, polymorphism, protein phosphatase
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	34277.80
Authors	Scapin, G.,Han, Y.,Kennedy, B.P. (deposition date: 2008-04-21, release date: 2008-06-10, Last modification date: 2024-02-21)
Primary citation	Han, Y.,Belley, M.,Bayly, C.I.,Colucci, J.,Dufresne, C.,Giroux, A.,Lau, C.K.,Leblanc, Y.,McKay, D.,Therien, M.,Wilson, M.C.,Skorey, K.,Chan, C.C.,Scapin, G.,Kennedy, B.P. Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor Bioorg.Med.Chem.Lett., 18:3200-3205, 2008 Cited by PubMed: 18477508 DOI: 10.1016/j.bmcl.2008.04.064 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation