2hb1: Difference between revisions
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==Overview== | ==Overview== | ||
A series of monocyclic thiophenes was designed and synthesized as PTP1B | 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== | ==Disease== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Lee, J.]] | [[Category: Lee, J.]] | ||
[[Category: Wan, Z | [[Category: Wan, Z K.]] | ||
[[Category: Xu, W.]] | [[Category: Xu, W.]] | ||
[[Category: 512]] | [[Category: 512]] | ||
[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:39:59 2008'' | ||
Revision as of 15:40, 21 February 2008
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Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor
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 with 512 as ligand. 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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