3c1k: Difference between revisions

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[[Image:3c1k.jpg|left|200px]]
{{Seed}}
[[Image:3c1k.png|left|200px]]


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{{STRUCTURE_3c1k|  PDB=3c1k  |  SCENE=  }}  
{{STRUCTURE_3c1k|  PDB=3c1k  |  SCENE=  }}  


'''Crystal structure of thrombin in complex with inhibitor 15'''
===Crystal structure of thrombin in complex with inhibitor 15===




==Overview==
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Guided by X-ray crystallography of thrombin-inhibitor complexes and molecular modeling, alkylation of the N1 nitrogen of the imidazole P1 ligand of the pyridinoneacetamide thrombin inhibitor 1 with various acetamide moieties furnished inhibitors with significantly improved thrombin potency, trypsin selectivity, functional in vitro anticoagulant potency and in vivo antithrombotic efficacy. In the pyrazinoneacetamide series, oral bioavailability was also improved.
The line below this paragraph, {{ABSTRACT_PUBMED_18291642}}, adds the Publication Abstract to the page
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{{ABSTRACT_PUBMED_18291642}}


==About this Structure==
==About this Structure==
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[[Category: Thrombin inhibitor complex]]
[[Category: Thrombin inhibitor complex]]
[[Category: Zymogen]]
[[Category: Zymogen]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 21:17:16 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 05:22:59 2008''

Revision as of 02:23, 29 July 2008

File:3c1k.png

Template:STRUCTURE 3c1k

Crystal structure of thrombin in complex with inhibitor 15

Template:ABSTRACT PUBMED 18291642

About this Structure

3C1K is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles., Isaacs RC, Solinsky MG, Cutrona KJ, Newton CL, Naylor-Olsen AM, McMasters DR, Krueger JA, Lewis SD, Lucas BJ, Kuo LC, Yan Y, Lynch JJ, Lyle EA, Bioorg Med Chem Lett. 2008 Mar 15;18(6):2062-6. Epub 2008 Jan 30. PMID:18291642

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