2h4k

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Image:2h4k.gif

2h4k, resolution 2.300Å

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Crystal structure of PTP1B with a monocyclic thiophene inhibitor

Contents

Overview

A series of monocyclic thiophenes was designed and synthesized as PTP1B, inhibitors. Guided by X-ray co-crystal structural information and, computational modeling, rational design led to key interactions with Asp48, and improved inhibitory potency against PTP1B.

Disease

Known diseases associated with this structure: Abdominal body fat distribution, modifier of OMIM:[176885], Insulin resistance, susceptibility to OMIM:[176885]

About this Structure

2H4K is a Single protein structure of sequence from Homo sapiens with 509 as ligand. Active as Protein-tyrosine-phosphatase, with EC number 3.1.3.48 Full crystallographic information is available from OCA.

Reference

Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48., Wan ZK, Lee J, Xu W, Erbe DV, Joseph-McCarthy D, Follows BC, Zhang YL, Bioorg Med Chem Lett. 2006 Sep 15;16(18):4941-5. Epub 2006 Jun 27. PMID:16806920

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