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1f0t

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{{STRUCTURE_1f0t| PDB=1f0t | SCENE= }}
{{STRUCTURE_1f0t| PDB=1f0t | SCENE= }}
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'''BOVINE TRYPSIN COMPLEXED WITH RPR131247'''
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===BOVINE TRYPSIN COMPLEXED WITH RPR131247===
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==Overview==
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Involved in the coagulation cascade, factor Xa (FXa) is a serine protease which has received great interest as a potential target for the development of new antithrombotics. Although there is a great wealth of structural data on thrombin complexes, few structures of ligand/FXa complexes have been reported, presumably because of the difficulty in growing crystals. Reproducible crystallization conditions for human des-Gla1-45 coagulation FXa have been found. This has led to an improvement in the diffraction quality of the crystals (about 2.1 A) when compared to the previously reported forms (2.3-2.8 A) thus providing a suitable platform for a structure-based drug design approach. A series of crystal structures of noncovalent inhibitors complexed with FXa have been determined, three of which are presented herein. These include compounds containing the benzamidine moiety and surrogates of the basic group. The benzamidine-containing compound binds in a canonical fashion typical of synthetic serine protease inhibitors. On the contrary, molecules that contain surrogates of the benzamidine group do not make direct hydrogen-bonding interactions with the carboxylate of Asp189 at the bottom of the S1 pocket. The structural data provide a likely explanation for the specificity of these inhibitors and a great aid in the design of bioavailable potent FXa inhibitors.
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(as it appears on PubMed at http://www.pubmed.gov), where 10966741 is the PubMed ID number.
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{{ABSTRACT_PUBMED_10966741}}
==About this Structure==
==About this Structure==
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[[Category: Spada, A P.]]
[[Category: Spada, A P.]]
[[Category: Protein-inhibitor complex]]
[[Category: Protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 15:45:29 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 02:18:49 2008''

Revision as of 23:18, 30 June 2008

Image:1f0t.png

Template:STRUCTURE 1f0t

BOVINE TRYPSIN COMPLEXED WITH RPR131247

Template:ABSTRACT PUBMED 10966741

About this Structure

1F0T is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

Crystal structures of human factor Xa complexed with potent inhibitors., Maignan S, Guilloteau JP, Pouzieux S, Choi-Sledeski YM, Becker MR, Klein SI, Ewing WR, Pauls HW, Spada AP, Mikol V, J Med Chem. 2000 Aug 24;43(17):3226-32. PMID:10966741

Page seeded by OCA on Tue Jul 1 02:18:49 2008

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