1PYN

DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE

Summary for 1PYN

• Entry DOI: 10.2210/pdb1pyn/pdb
• Related: 1NL9 1NNY 1NO6 1NZ7 1ONY 1PHO
• Descriptor: Protein-tyrosine phosphatase, non-receptor type 1, 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID (3 entities in total)
• Functional Keywords: protein tyrosine phosphatase inhibited with dual site, malonate-containing inhibitor, 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: 37970.24

Authors

Szczepankiewicz, B.G.,Liu, G.,Hajduk, P.J.,Abad-Zapatero, C.,Zhonghua, P.,Lubben, T.,Trevillyan, J.M.,Stashko, M.,Ballaron, S.J.,Liang, H. (deposition date: 2003-07-09, release date: 2003-09-16, Last modification date: 2023-08-16)

Primary citation

Pei, Z.,Li, X.,Liu, G.,Abad-Zapatero, C.,Lubben, T.,Zhang, T.,Ballaron, S.J.,Hutchins, C.W.,Trevillyan, J.M.,Jirousek, M.R.
Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13:3129-3132, 2003

PubMed Abstract: A salicylate second site binder was linked to three classes of phosphotyrosine mimetics to produce potent protein tyrosine phosphatase 1B (PTP1B) inhibitors which exhibit significant selectivity against other phosphatases including the most homologous member, TCPTP.

PubMed: 12951078
DOI: 10.1016/S0960-894X(03)00725-X

Experimental method

X-RAY DIFFRACTION (2.2 Å)