2hb1 | pdb_00002hb1
Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor
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| 2hb1, resolution 2.0Å | |||||||||||||
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| Ligands: | 512 | ||||||||||||
| Gene: | PTPN1, PTP1B (Homo sapiens) | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
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
2HB1 is a Single protein structure of sequence from Homo sapiens. 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
Page seeded by OCA on Thu Mar 20 17:14:51 2008
