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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
26
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pubmed:dateCreated |
2001-12-19
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pubmed:abstractText |
Structure-based in-silico screening was carried out for the Syk C-terminal SH2 domain. Fragments that could interact with the pY or pY+1 pockets were selected by our in-silico screening. After tethering two fragments bound to these pockets, we have designed and synthesized new compounds that show favorable interaction with the pY+3 pocket. One such compound, having a cyclohexylmalonic acid moiety identified as a novel potent phosphotyrosyl mimetic, exhibited an affinity comparable to that of the monophosphorylated ligand peptide.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Dec
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pubmed:issn |
0022-2623
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pubmed:author |
pubmed-author:BallEE,
pubmed-author:ChikauchiKK,
pubmed-author:FujitaSS,
pubmed-author:IchikawaAA,
pubmed-author:KikuchiKK,
pubmed-author:MaedaYY,
pubmed-author:NiimiTT,
pubmed-author:Okazawa-IgarashiMM,
pubmed-author:OritaMM,
pubmed-author:SakamotoSS,
pubmed-author:SakashitaHH,
pubmed-author:TanakaAA,
pubmed-author:TatsutaKK,
pubmed-author:TsukamotoSS,
pubmed-author:YamagiwaYY
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pubmed:issnType |
Print
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pubmed:day |
20
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pubmed:volume |
44
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
4737-40
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pubmed:dateRevised |
2011-11-2
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pubmed:meshHeading |
pubmed-meshheading:11741491-Binding, Competitive,
pubmed-meshheading:11741491-Cyclohexanes,
pubmed-meshheading:11741491-Enzyme Precursors,
pubmed-meshheading:11741491-Intracellular Signaling Peptides and Proteins,
pubmed-meshheading:11741491-Ligands,
pubmed-meshheading:11741491-Magnetic Resonance Spectroscopy,
pubmed-meshheading:11741491-Malonates,
pubmed-meshheading:11741491-Models, Molecular,
pubmed-meshheading:11741491-Molecular Mimicry,
pubmed-meshheading:11741491-Phosphotyrosine,
pubmed-meshheading:11741491-Protein Structure, Tertiary,
pubmed-meshheading:11741491-Protein-Tyrosine Kinases,
pubmed-meshheading:11741491-src Homology Domains
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pubmed:year |
2001
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pubmed:articleTitle |
Design and synthesis of non-peptidic inhibitors for the Syk C-terminal SH2 domain based on structure-based in-silico screening.
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pubmed:affiliation |
Department of Applied Chemistry, School of Science and Engineering, Waseda University, 3-4-1 Ohkubo, Shinjuku-ku, Tokyo 169-8555, Japan. tatsuta@mn.waseda.ac.jp
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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