View source for 1eb2

[[Image:1eb2.gif|left|200px]]<br />
<applet load="1eb2" size="450" color="white" frame="true" align="right" spinBox="true" 
caption="1eb2, resolution 2.0&Aring;" />
'''TRYPSIN INHIBITOR COMPLEX (BPO)'''<br />

==Overview==
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.

==About this Structure==
1EB2 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with SO4, CA and BPO as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Structure known Active Site: CA. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1EB2 OCA]. 

==Reference==
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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11881991 11881991]
[[Category: Bos taurus]]
[[Category: Single protein]]
[[Category: Trypsin]]
[[Category: Brady, R.L.]]
[[Category: Liebeschuetz, J.W.]]
[[Category: Wilkinson, K.W.]]
[[Category: Young, S.C.]]
[[Category: BPO]]
[[Category: CA]]
[[Category: SO4]]
[[Category: hydrolase]]
[[Category: inhibitor]]
[[Category: serine protease]]

''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov  5 16:09:54 2007''