1xnn

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[[Image:1xnn.gif|left|200px]]
[[Image:1xnn.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1xnn |SIZE=350|CAPTION= <scene name='initialview01'>1xnn</scene>, resolution 2.20&Aring;
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The line below this paragraph, containing "STRUCTURE_1xnn", 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=HYQ:REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE'>HYQ</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=
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or leave the SCENE parameter empty for the default display.
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|GENE= Ar, Nr3c4 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])
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-->
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|DOMAIN=
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{{STRUCTURE_1xnn| PDB=1xnn | 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=1xnn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xnn OCA], [http://www.ebi.ac.uk/pdbsum/1xnn PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1xnn RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.'''
'''CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Sack, J.]]
[[Category: Sack, J.]]
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[[Category: androgen receptor]]
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[[Category: Androgen receptor]]
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[[Category: ligand-binding domain]]
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[[Category: Ligand-binding domain]]
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[[Category: nuclear receptor]]
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[[Category: Nuclear receptor]]
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[[Category: steroid receptor]]
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[[Category: Steroid receptor]]
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[[Category: transcription regulation]]
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[[Category: Transcription regulation]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 15:16:14 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:52:09 2008''
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Revision as of 12:16, 3 May 2008

Image:1xnn.gif

Template:STRUCTURE 1xnn

CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.


Overview

A novel series of isoindoledione based compounds were identified as potent antagonists of the androgen receptor (AR). Co-crystallization of members of this family of inhibitors was successfully accomplished with the T877A AR LBD. A working model of how this class of compounds functions to antagonize the AR was created. Based on this model, it was proposed that expanding the bicyclic portion of the molecule should result in analogs which function as effective antagonists against a variety of AR isoforms. In contrast to what was predicted by the model, SAR around this new series was dictated by the aniline portion rather than the bicyclic portion of the molecule.

About this Structure

1XNN is a Single protein structure of sequence from Rattus norvegicus. Full crystallographic information is available from OCA.

Reference

Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists., Salvati ME, Balog A, Shan W, Wei DD, Pickering D, Attar RM, Geng J, Rizzo CA, Gottardis MM, Weinmann R, Krystek SR, Sack J, An Y, Kish K, Bioorg Med Chem Lett. 2005 Jan 17;15(2):271-6. PMID:15603938 Page seeded by OCA on Sat May 3 15:16:14 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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