Journal:JMedChem:1
From Proteopedia
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<b>Molecular Tour</b><br> | <b>Molecular Tour</b><br> | ||
| - | Selective <scene name='Journal:JMEDCHEM:1/Cv/3'>estrogen receptor</scene> modulators, such as estradiol 17-derived metal complexes, have been synthesized as targeted probes for the diagnosis and treatment of breast cancer. Here, we report the detailed 3D structure of estrogen receptor α ligand-binding domain (ER-LBD) bound with a novel <scene name='Journal:JMEDCHEM:1/Cv/5'>estradiol-derived metal complex, estradiol-pyridinium tetra acetate europium (III) (EPTA-Eu)</scene> at 2.6 resolution. The residues <scene name='Journal:JMEDCHEM:1/Cv/6'>Glu353, Arg394 and His524 and the conserved water molecule (W1006) form hydrogen bonds</scene> with estrogen receptor. <scene name='Journal:JMEDCHEM:1/Cv/7'>Superposition</scene> of this structure with the structure of native ligand 17β-estradiol (E2) in the complex of E2/ERα-LBD complex ([[1ere]]) reveals that the <scene name='Journal:JMEDCHEM:1/Cv/8'>E2 core of EPTA-Eu overlaps closely with that of E2 itself</scene>. <scene name='Journal:JMEDCHEM:1/Al/ | + | Selective <scene name='Journal:JMEDCHEM:1/Cv/3'>estrogen receptor</scene> modulators, such as estradiol 17-derived metal complexes, have been synthesized as targeted probes for the diagnosis and treatment of breast cancer. Here, we report the detailed 3D structure of estrogen receptor α ligand-binding domain (ER-LBD) bound with a novel <scene name='Journal:JMEDCHEM:1/Cv/5'>estradiol-derived metal complex, estradiol-pyridinium tetra acetate europium (III) (EPTA-Eu)</scene> at 2.6 resolution. The residues <scene name='Journal:JMEDCHEM:1/Cv/6'>Glu353, Arg394 and His524 and the conserved water molecule (W1006) form hydrogen bonds</scene> with estrogen receptor. <scene name='Journal:JMEDCHEM:1/Cv/7'>Superposition</scene> of this structure with the structure of native ligand 17β-estradiol (E2) in the complex of E2/ERα-LBD complex ([[1ere]]) reveals that the <scene name='Journal:JMEDCHEM:1/Cv/8'>E2 core of EPTA-Eu overlaps closely with that of E2 itself</scene>. <scene name='Journal:JMEDCHEM:1/Al/3'>Superposition</scene> of EEu/ERα-LBD complex on OHT/ERα-LBD complex ([[3ert]]). <scene name='Journal:JMEDCHEM:1/Al/2'>There are no hydrogen bonds formed between OHT</scene> and residues in H3, H7-H8 and H11 within the OHT/ERα-LBD complex. This structure provides important information pertinent to the design of novel functional ER targeted probes for clinical applications. |
</StructureSection> | </StructureSection> | ||
<references/> | <references/> | ||
__NOEDITSECTION__ | __NOEDITSECTION__ | ||
Revision as of 12:13, 17 February 2011
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This page complements a publication in scientific journals and is one of the Proteopedia's Interactive 3D Complement pages. For aditional details please see I3DC.
