Author results

4XI3
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH BAZEDOXIFENE
Descriptor:Estrogen receptor, Bazedoxifene
Authors:Fanning, S.W., Mayne, C.G., Toy, W., Carlson, K., Greene, B., Nowak, J., Walter, R., Panchamukhi, S., Tajhorshid, E., Nettles, K.W., Chandarlapaty, S., Katzenellenbogen, J., Greene, G.L.
Deposit date:2015-01-06
Release date:2016-01-13
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Biochemical and Structural Basis for Constitutive Activity and Reduced SERM Potency in Acquired SERM/AI Resistant Metastatic Breast Cancers via ESR1 Somatic Mutation
To Be Published
5UFW
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH OP1154
Descriptor:Estrogen receptor, (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol
Authors:Fanning, S.W., Hodges-Gallagher, L., Myles, D.C., Sun, R., Fowler, C.E., Green, B.D., Harmon, C.L., Greene, G.L., Kushner, P.J.
Deposit date:2017-01-06
Release date:2018-01-10
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
5UFX
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH OP1074
Descriptor:Estrogen receptor, (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol
Authors:Fanning, S.W., Hodges-Gallagher, L., Myles, D.C., Sun, R., Fowler, C.E., Green, B.D., Harmon, C.L., Greene, G.L., Kushner, P.J.
Deposit date:2017-01-06
Release date:2018-01-10
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.5503 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
6C42
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH OP1156
Descriptor:Estrogen receptor, (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol
Authors:Fanning, S.W., Hodges-Gallager, L., Myles, D.C., Sun, R., Fowler, C.E., Green, B.D., Harmon, C.L., Greene, G.L., Kushner, P.J.
Deposit date:2018-01-11
Release date:2018-02-14
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
1L2I
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:ESTROGEN RECEPTOR, GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1, CHLORIDE ION, ...
Authors:Shiau, A.K., Barstad, D., Radek, J.T., Meyers, M.J., Nettles, K.W., Katzenellenbogen, B.S., Katzenellenbogen, J.A., Agard, D.A., Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
4PXM
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THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN D538G MUTANT IN COMPLEX WITH ESTRADIOL AND A GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, ESTRADIOL
Authors:Fanning, S.W., Panchamukhi, S., Greene, G.L.
Deposit date:2014-03-24
Release date:2015-04-08
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4Q13
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APO ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN D538G MUTANT WITH A GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
Authors:Fanning, S.W., Panchamukhi, S., Greene, G.L.
Deposit date:2014-04-02
Release date:2015-04-08
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4Q50
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THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN D538G MUTANT IN COMPLEX WITH 4-HYDROXYTAMOXIFEN
Descriptor:Estrogen receptor, 4-HYDROXYTAMOXIFEN, SULFATE ION
Authors:Fanning, S.W., Greene, G.L.
Deposit date:2014-04-15
Release date:2015-04-15
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
1L2J
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HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL
Descriptor:ESTROGEN RECEPTOR BETA, (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL
Authors:Shiau, A.K., Barstad, D., Radek, J.T., Meyers, M.J., Nettles, K.W., Katzenellenbogen, B.S., Katzenellenbogen, J.A., Agard, D.A., Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
1R5K
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH GW5638
Descriptor:Estrogen receptor, (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
Authors:Wu, Y.-L., Yang, X., Ren, Z., McDonnell, D.P., Norris, J.D., Willson, T.M., Greene, G.L.
Deposit date:2003-10-10
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for an unexpected mode of SERM-mediated ER antagonism.
Mol.Cell, 18, 2005
1ZKY
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH OBCP-3M AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Hahm, J.B., Nettles, K.W., Greene, G.L.
Deposit date:2005-05-04
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2B1V
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH OBCP-1M AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-09-16
Release date:2006-05-09
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2B1Z
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 17METHYL-17ALPHA-DIHYDROEQUILENIN AND A GLUCOC INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 17-METHYL-17-ALPHA-DIHYDROEQUILENIN
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-09-16
Release date:2006-09-19
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Molecular characterization of a B-ring unsaturated estrogen: implications for conjugated equine estrogen components of premarin.
Steroids, 73, 2008
2B23
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN AND A GLUCOCORTICOID RECEPTOR-INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-09-16
Release date:2006-09-19
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2FAI
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH OBCP-2M AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2005-12-07
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
2G5O
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 2-(BUT-1-ENYL)-17BETA-ESTRADIOL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Authors:Rajan, S.S., Hsieh, R.W., Sharma, S.K., Greene, G.L.
Deposit date:2006-02-23
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
To be Published
2P15
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CRYSTAL STRUCTURE OF THE ER ALPHA LIGAND BINDING DOMAIN WITH THE AGONIST ORTHO-TRIFLUOROMETHYLPHENYLVINYL ESTRADIOL
Descriptor:Estrogen receptor, GRIP peptide, (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Authors:Bruning, J.B., Nettles, K.W., Greene, G.L., Kim, Y.
Deposit date:2007-03-02
Release date:2007-05-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural plasticity in the oestrogen receptor ligand-binding domain.
Embo Rep., 8, 2007
2Q6J
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED TO A B-N SUBSTITUTED LIGAND
Descriptor:Estrogen receptor, GRIP peptide, 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL
Authors:Zhou, H., Nettles, K.W., Bruning, J.B., Kim, Y., Joachimiak, A., Sharma, S., Carlson, K.E., Stossi, F., Katzenellenbogen, B.S., Greene, G.L., Katzenellenbogen, J.A.
Deposit date:2007-06-05
Release date:2007-06-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
2QA6
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA MUTANT 537S COMPLEXED WITH 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
Descriptor:Estrogen receptor, nuclear receptor coactivator 2, 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QA8
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN MUTANT 537S COMPLEXED WITH GENISTEIN
Descriptor:Estrogen receptor, nuclear receptor coactivator 2, GENISTEIN
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QAB
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN MUTANT 537S COMPLEXED WITH AN ETHYL INDAZOLE COMPOUND
Descriptor:Estrogen receptor, nuclear receptor coactivator 2, 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QGT
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED TO AN ETHER ESTRADIOL COMPOUND
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QGW
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH A CHLORO-INDAZOLE COMPOUND
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QH6
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED WITH AN OXABICYCLIC DIARYLETHYLENE COMPOUND
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE
Authors:Nettles, K.W., Bruning, J.B., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QXM
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CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN COMPLEXED TO BURNED MEAT COMPOUND PHIP
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
Authors:Nettles, K.W., Bruning, J.B., Gil, G., Nowak, J., Sharma, S.K., Hahm, J.B., Shi, Y., Kulp, K., Hochberg, R.B., Zhou, H., Katzenellenbogen, J.A., Katzenellenbogen, B.S., Kim, Y., Joachmiak, A., Greene, G.L.
Deposit date:2007-08-12
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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