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TitleNFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Journal, issue, pagesNat. Chem. Biol., Vol. 4, Page 241-247, Year 2008
Publish dateSep 16, 2005 (structure data deposition date)
AuthorsNettles, K.W. / Bruning, J.B. / Gil, G. / Nowak, J. / Sharma, S.K. / Hahm, J.B. / Kulp, K. / Hochberg, R.B. / Zhou, H. / Katzenellenbogen, J.A. ...Nettles, K.W. / Bruning, J.B. / Gil, G. / Nowak, J. / Sharma, S.K. / Hahm, J.B. / Kulp, K. / Hochberg, R.B. / Zhou, H. / Katzenellenbogen, J.A. / Katzenellenbogen, B.S. / Kim, Y. / Joachmiak, A. / Greene, G.L.
External linksNat. Chem. Biol. / PubMed:18344977
MethodsX-ray diffraction
Resolution1.85 - 2.7 Å
Structure data

PDB-2b23:
Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2qa6:
Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2qa8:
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-2qab:
Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-2qgt:
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-2qgw:
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole Compound
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

PDB-2qh6:
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-2qr9:
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2qse:
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain complexed with Burned Meat Compound 4-OH-PhIP
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-2qxm:
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-KN2:
4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL

ChemComp-GEN:
GENISTEIN / inhibitor*YM

ChemComp-EI1:
3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL

ChemComp-EED:
(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL

ChemComp-EES:
3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL

ChemComp-ODE:
DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE

ChemComp-HZ3:
dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

ChemComp-1HP:
4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol

ChemComp-PIQ:
2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsHORMONE/GROWTH FACTOR RECEPTOR / ESTROGEN RECEPTOR / LBD / GRIP PEPTIDE / HORMONE-GROWTH FACTOR RECEPTOR COMPLEX / TRANSCRIPTION / Protein-Ligand Complex / DNA-binding / Lipid-binding / Metal-binding / Nucleus / Phosphorylation / Receptor / Steroid-binding / Transcription regulation / Zinc-finger

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