2hb1: Difference between revisions
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'''Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor''' | '''Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor''' | ||
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[[Category: Wan, Z K.]] | [[Category: Wan, Z K.]] | ||
[[Category: Xu, W.]] | [[Category: Xu, W.]] | ||
[[Category: | [[Category: Protein-inhibitor complex]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:04:32 2008'' | |||
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Revision as of 03:04, 4 May 2008
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.
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 Sun May 4 06:04:32 2008
