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: 18477508DOI: 10.1016/j.bmcl.2008.04.064 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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