1eb2: Difference between revisions

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[[Image:1eb2.jpg|left|200px]]
{{Seed}}
[[Image:1eb2.png|left|200px]]


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{{STRUCTURE_1eb2|  PDB=1eb2  |  SCENE=  }}  
{{STRUCTURE_1eb2|  PDB=1eb2  |  SCENE=  }}  


'''TRYPSIN INHIBITOR COMPLEX (BPO)'''
===TRYPSIN INHIBITOR COMPLEX (BPO)===




==Overview==
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In silico screening of combinatorial libraries prior to synthesis promises to be a valuable aid to lead discovery. PRO_SELECT, a tool for the virtual screening of libraries for fit to a protein active site, has been used to find novel leads against the serine protease factor Xa. A small seed template was built upon using three iterations of library design, virtual screening, synthesis, and biological testing. Highly potent molecules with selectivity for factor Xa over other serine proteases were rapidly obtained.
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{{ABSTRACT_PUBMED_11881991}}


==About this Structure==
==About this Structure==
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[[Category: Inhibitor]]
[[Category: Inhibitor]]
[[Category: Serine protease]]
[[Category: Serine protease]]
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Revision as of 00:26, 1 July 2008

File:1eb2.png

Template:STRUCTURE 1eb2

TRYPSIN INHIBITOR COMPLEX (BPO)TRYPSIN INHIBITOR COMPLEX (BPO)

Template:ABSTRACT PUBMED 11881991

About this StructureAbout this Structure

1EB2 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

ReferenceReference

PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors., Liebeschuetz JW, Jones SD, Morgan PJ, Murray CW, Rimmer AD, Roscoe JM, Waszkowycz B, Welsh PM, Wylie WA, Young SC, Martin H, Mahler J, Brady L, Wilkinson K, J Med Chem. 2002 Mar 14;45(6):1221-32. PMID:11881991

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