1z6j

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[[Image:1z6j.gif|left|200px]]
[[Image:1z6j.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1z6j |SIZE=350|CAPTION= <scene name='initialview01'>1z6j</scene>, resolution 2.0&Aring;
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The line below this paragraph, containing "STRUCTURE_1z6j", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CGU:GAMMA-CARBOXY-GLUTAMIC+ACID'>CGU</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PY3:5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE'>PY3</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_VIIa Coagulation factor VIIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.21 3.4.21.21] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= F7 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]), F3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_1z6j| PDB=1z6j | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1z6j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1z6j OCA], [http://www.ebi.ac.uk/pdbsum/1z6j PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1z6j RCSB]</span>
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}}
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'''Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor'''
'''Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor'''
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[[Category: Stegeman, R A.]]
[[Category: Stegeman, R A.]]
[[Category: Stevens, A M.]]
[[Category: Stevens, A M.]]
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[[Category: benzamidine]]
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[[Category: Benzamidine]]
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[[Category: blood coagulation]]
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[[Category: Blood coagulation]]
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[[Category: cofactor]]
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[[Category: Cofactor]]
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[[Category: enzyme inhibitor complex]]
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[[Category: Enzyme inhibitor complex]]
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[[Category: gla]]
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[[Category: Gla]]
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[[Category: pyrazinone]]
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[[Category: Pyrazinone]]
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[[Category: serine protease]]
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[[Category: Serine protease]]
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[[Category: thrombosis]]
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[[Category: Thrombosis]]
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[[Category: tissue factor]]
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[[Category: Tissue factor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 17:14:09 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:29:50 2008''
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Revision as of 14:14, 3 May 2008

Image:1z6j.gif

Template:STRUCTURE 1z6j

Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor


Contents

Overview

We describe the structure-based design, synthesis, and enzymatic activity of a series of substituted pyrazinones as inhibitors of the TF/VIIa complex. These inhibitors contain substituents meta to the P(1) amidine designed to explore additional interactions with the VIIa residues in the so-called 'S(1) side pocket'. A crystal structure of the designed inhibitors demonstrates the ability of the P(1) side pocket moiety to engage Lys192 and main chain of Gly216 via hydrogen bond interactions, thus, providing additional possibility for chemical modification to improve selectivity and/or physical properties of inhibitors.

Disease

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

About this Structure

1Z6J is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa., Schweitzer BA, Neumann WL, Rahman HK, Kusturin CL, Sample KR, Poda GI, Kurumbail RG, Stevens AM, Stegeman RA, Stallings WC, South MS, Bioorg Med Chem Lett. 2005 Jun 15;15(12):3006-11. PMID:15913999 Page seeded by OCA on Sat May 3 17:14:09 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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