1r6g

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[[Image:1r6g.gif|left|200px]]
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{{STRUCTURE_1r6g| PDB=1r6g | SCENE= }}
{{STRUCTURE_1r6g| PDB=1r6g | SCENE= }}
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'''Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound'''
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===Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound===
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==Overview==
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A set of thyromimetics having improved selectivity for TR-beta1 were prepared by replacing the 3'-isopropyl group of 2 and 3 with substituents having increased steric bulk. From this limited SAR study, the most potent and selective compounds identified were derived from 2 and contained a 3'-phenyl moiety bearing small hydrophobic groups meta to the biphenyl link. X-ray crystal data of 15c complexed with TR-beta1 LBD shows methionine 442 to be displaced by the bulky R3' phenyl ethyl amide side chain. Movement of this amino acid side chain provides an expanded pocket for the bulky side chain while the ligand-receptor complex retains full agonist activity.
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(as it appears on PubMed at http://www.pubmed.gov), where 15177471 is the PubMed ID number.
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{{ABSTRACT_PUBMED_15177471}}
==About this Structure==
==About this Structure==
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[[Category: Sheppard, C.]]
[[Category: Sheppard, C.]]
[[Category: Alpha helical]]
[[Category: Alpha helical]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 07:08:36 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 16:41:57 2008''

Revision as of 13:42, 28 July 2008

Image:1r6g.png

Template:STRUCTURE 1r6g

Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound

Template:ABSTRACT PUBMED 15177471

About this Structure

1R6G is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta., Hangeland JJ, Doweyko AM, Dejneka T, Friends TJ, Devasthale P, Mellstrom K, Sandberg J, Grynfarb M, Sack JS, Einspahr H, Farnegardh M, Husman B, Ljunggren J, Koehler K, Sheppard C, Malm J, Ryono DE, Bioorg Med Chem Lett. 2004 Jul 5;14(13):3549-53. PMID:15177471

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