2aei

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{{STRUCTURE_2aei| PDB=2aei | SCENE= }}
{{STRUCTURE_2aei| PDB=2aei | SCENE= }}
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'''Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid'''
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===Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid===
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==Overview==
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The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in the formation of blood clots. Inhibition of this complex may lead to new antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that incorporation of substitution at the 5-position of the hydroxybenzoic acid side chain could lead to the formation of more potent inhibitors through interactions with the S1'/S2' pocket.
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(as it appears on PubMed at http://www.pubmed.gov), where 16125385 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16125385}}
==Disease==
==Disease==
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[[Category: Thrombosis]]
[[Category: Thrombosis]]
[[Category: Tissue factor]]
[[Category: Tissue factor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 11:09:39 2008''

Revision as of 08:09, 28 July 2008

Image:2aei.png

Template:STRUCTURE 2aei

Contents

Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid

Template:ABSTRACT PUBMED 16125385

Disease

Known disease associated with this structure: Factor VII deficiency OMIM:[227500], Myocardial infarction, decreased susceptibility to OMIM:[227500]

About this Structure

2AEI is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex., Kohrt JT, Filipski KJ, Cody WL, Cai C, Dudley DA, Van Huis CA, Willardsen JA, Rapundalo ST, Saiya-Cork K, Leadley RJ, Narasimhan L, Zhang E, Whitlow M, Adler M, McLean K, Chou YL, McKnight C, Arnaiz DO, Shaw KJ, Light DR, Edmunds JJ, Bioorg Med Chem Lett. 2005 Nov 1;15(21):4752-6. PMID:16125385

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