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5TML
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE OBHS-ASC COMPOUND, (E)-6-(4-((1R,4S,6R)-6-((3-CHLOROPHENOXY)SULFONYL)-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL)PHENYL)HEX-5-ENOIC ACID
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMM
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE OBHS-ASC ANALOG, (E)-6-(4-((1R,4S,6R)-6-((4-BROMOPHENOXY)SULFONYL)-3-(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-2-EN-2-YL)PHENYL)HEX-5-ENOIC ACID
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
Authors:Nwachukwu, J.C., Srinivasan, S., Bruno, N.E., Nowak, J., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMO
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE ARENE CORE OBHS DERIVATIVE, PHENYL 4,4''-DIHYDROXY-[1,1':2',1''-TERPHENYL]-4'-SULFONATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.172 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMQ
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE ARENE CORE OBHS DERIVATIVE, 4-BROMOPHENYL 4,4''-DIHYDROXY-[1,1':2',1''-TERPHENYL]-4'-SULFONATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMR
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE CYCLOFENIL-ASC DERIVATIVE, ETHYL (E)-3-(4-(CYCLOHEXYLIDENE(4-HYDROXYPHENYL)METHYL)PHENYL)ACRYLATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.296 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMS
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE CYCLOFENIL-ASC DERIVATIVE, ETHYL (E)-3-(4-(BICYCLO[3.3.1]NONAN-9-YLIDENE(4-HYDROXYPHENYL)METHYL)PHENYL)ACRYLATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMT
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH 4,4'-((1,3-DIHYDRO-2H-INDEN-2-YLIDENE)METHYLENE)DIPHENOL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol
Authors:Nwachukwu, J.C., Srinivasan, S., Bruno, N.E., Nowak, J., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMU
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH 4,4'-(CYCLOHEPTYLIDENEMETHYLENE)DIPHENOL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4,4'-(cycloheptylidenemethylene)diphenol
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.429 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMV
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE OBHS ANALOG, 4-IODOPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMW
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE OBHS DERIVATIVE, 4-ACETAMIDOPHENYL (1S,2R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-SULFONATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMZ
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE ESTRADIOL DERIVATIVE, (8S,9S,13S,14S,17S)-16-(3-METHOXYBENZYL)-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN1
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE ESTRADIOL DERIVATIVE, (8S,9S,13S,14S,E)-17-((4-ISOPROPYLPHENYL)IMINO)-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-3-OL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN3
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE ESTRADIOL DERIVATIVE, (8S,9S,13S,14S)-17-((4-ISOPROPYLPHENYL)AMINO)-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-3-OL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN4
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE ACD-RING ESTROGEN, (S)-5-(4-HYDROXY-3,5-DIMETHYLPHENYL)-2,3-DIHYDRO-1H-INDEN-1-OL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol
Authors:Nwachukwu, J.C., Erumbi, R., Srinivasan, S., Bruno, N.E., Nowak, J., Izard, T., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN5
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE AC-RING ESTROGEN, (1S,3AS,5S,7AS)-5-(4-HYDROXYPHENYL)-7A-METHYLOCTAHYDRO-1H-INDEN-1-OL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
Authors:Nwachukwu, J.C., Srinivasan, S., Bruno, N.E., Nowak, J., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN6
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE SPIRO BC-ESTRADIOL, (1S,1'S,3A'S,7A'S)-7A'-METHYL-1',2,2',3,3',3A',4',6',7',7A'-DECAHYDRO-1,5'-SPIROBI[INDENE]-1',5-DIOL
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol
Authors:Nwachukwu, J.C., Srinivasan, S., Bruno, N.E., Nowak, J., Kojetin, D.J., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN7
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH (E)-3'-FLUORO-4'-HYDROXY-3-((HYDROXYIMINIO)METHYL)-[1,1'-BIPHENYL]-4-OLATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
Authors:Nwachukwu, J.C., Srinivasan, S., Bruno, N.E., Nowak, J., Kojetin, D.J., Minutolo, F., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN8
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH (E)-4'-HYDROXY-3-((HYDROXYIMINIO)METHYL)-[1,1'-BIPHENYL]-4-OLATE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
Authors:Nwachukwu, J.C., Srinivasan, S., Bruno, N.E., Nowak, J., Kojetin, D.J., Minutolo, F., Elemento, O., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.652 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5U2B
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH THE PHENYLAMINO-SUBSTITUTED ESTROGEN, (8R,9S,13S,14S,17S)-13-METHYL-17-(PHENYLAMINO)-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-3-OL, WITHOUT A COACTIVATOR PEPTIDE
Descriptor:Estrogen receptor, (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Authors:Nwachukwu, J.C., Nowak, J., Carlson, K.E., Katzenellenbogen, J.A., Nettles, K.W.
Deposit date:2016-11-30
Release date:2017-04-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.
Mol. Cell, 65, 2017
5U2D
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CRYSTAL STRUCTURE OF THE ER-ALPHA LIGAND-BINDING DOMAIN (Y537S) IN COMPLEX WITH OXABICYCLIC HEPTENE SULFONATE (OBHS)
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C., Erumbi, R., Nowak, J., Carlson, K.E., Katzenellenbogen, J.A., Izard, T., Nettles, K.W.
Deposit date:2016-11-30
Release date:2017-04-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.
Mol. Cell, 65, 2017