2j4i

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[[Image:2j4i.jpg|left|200px]]
[[Image:2j4i.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2j4i |SIZE=350|CAPTION= <scene name='initialview01'>2j4i</scene>, resolution 1.8&Aring;
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The line below this paragraph, containing "STRUCTURE_2j4i", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Ca+Binding+Site+For+Chain+A'>AC1</scene>
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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=GSJ:1-PYRROLIDINEACETAMIDE,+3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-,+(ALPHAS,3S)-'>GSJ</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_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2j4i| PDB=2j4i | 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=2j4i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j4i OCA], [http://www.ebi.ac.uk/pdbsum/2j4i PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2j4i RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX'''
'''CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX'''
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[[Category: Young, R J.]]
[[Category: Young, R J.]]
[[Category: Zhou, P.]]
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[[Category: blood coagulation]]
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[[Category: Blood coagulation]]
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[[Category: calcium]]
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[[Category: Calcium]]
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[[Category: complex]]
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[[Category: Complex]]
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[[Category: egf-like domain]]
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[[Category: Egf-like domain]]
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[[Category: gamma-carboxyglutamic acid]]
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[[Category: Gamma-carboxyglutamic acid]]
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[[Category: glycoprotein]]
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[[Category: Glycoprotein]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: hydroxylation]]
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[[Category: Hydroxylation]]
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[[Category: polymorphism]]
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[[Category: Polymorphism]]
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[[Category: protease]]
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[[Category: Protease]]
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[[Category: serine protease]]
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[[Category: Serine protease]]
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[[Category: zymogen]]
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[[Category: Zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 08:19:18 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:52:51 2008''
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Revision as of 05:19, 4 May 2008

Image:2j4i.jpg

Template:STRUCTURE 2j4i

CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX


Overview

Structure-based drug design was exploited in the synthesis of 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa) inhibitors, incorporating an alanylamide P4 group with acyclic tertiary amide termini. Optimized hydrophobic contacts of one amide substituent in P4 were complemented by hydrophobicity-modulating features in the second, producing potent fXa inhibitors including examples with excellent anticoagulant properties.

About this Structure

2J4I is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure- and property-based design of factor Xa inhibitors: pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs., Young RJ, Campbell M, Borthwick AD, Brown D, Burns-Kurtis CL, Chan C, Convery MA, Crowe MC, Dayal S, Diallo H, Kelly HA, King NP, Kleanthous S, Mason AM, Mordaunt JE, Patel C, Pateman AJ, Senger S, Shah GP, Smith PW, Watson NS, Weston HE, Zhou P, Bioorg Med Chem Lett. 2006 Dec 1;16(23):5953-7. Epub 2006 Sep 18. PMID:16982190 Page seeded by OCA on Sun May 4 08:19:18 2008

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OCA

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