1qb9

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[[Image:1qb9.jpg|left|200px]]
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{{Seed}}
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{{STRUCTURE_1qb9| PDB=1qb9 | SCENE= }}
{{STRUCTURE_1qb9| PDB=1qb9 | SCENE= }}
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'''BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX'''
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===BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX===
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==Overview==
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Factor Xa is a serine protease which activates thrombin (factor IIa) and plays a key regulatory role in the blood-coagulation cascade. Factor Xa is, therefore, an important target for the design of anti-thrombotics. Both factor Xa and thrombin share sequence and structural homology with trypsin. As part of a factor Xa inhibitor-design program, a number of factor Xa inhibitors were crystallographically studied complexed to bovine trypsin. The structures of one diaryl benzimidazole, one diaryl carbazole and three diaryloxypyridines are described. All five compounds bind to trypsin in an extended conformation, with an amidinoaryl group in the S1 pocket and a second basic/hydrophobic moiety bound in the S4 pocket. These binding modes all bear a resemblance to the reported binding mode of DX-9065a in bovine trypsin and human factor Xa.
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(as it appears on PubMed at http://www.pubmed.gov), where 10417407 is the PubMed ID number.
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{{ABSTRACT_PUBMED_10417407}}
==About this Structure==
==About this Structure==
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[[Category: S1 pocket]]
[[Category: S1 pocket]]
[[Category: Serine proteinase]]
[[Category: Serine proteinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 06:05:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 08:12:06 2008''

Revision as of 05:12, 29 July 2008

Image:1qb9.png

Template:STRUCTURE 1qb9

BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX

Template:ABSTRACT PUBMED 10417407

About this Structure

1QB9 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin., Whitlow M, Arnaiz DO, Buckman BO, Davey DD, Griedel B, Guilford WJ, Koovakkat SK, Liang A, Mohan R, Phillips GB, Seto M, Shaw KJ, Xu W, Zhao Z, Light DR, Morrissey MM, Acta Crystallogr D Biol Crystallogr. 1999 Aug;55(Pt 8):1395-404. PMID:10417407

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