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BU of 7rs7 by Molmil

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30
分子名称:	(1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor
著者	Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
登録日	2021-08-11
公開日	2021-09-22
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.58 Å)
主引用文献	Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021

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BU of 7rrx by Molmil

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19
分子名称:	(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CHLORIDE ION, Estrogen receptor
著者	Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
登録日	2021-08-10
公開日	2021-09-22
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.78 Å)
主引用文献	Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021

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BU of 7rs8 by Molmil

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16
分子名称:	(1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
著者	Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
登録日	2021-08-11
公開日	2021-09-22
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.64 Å)
主引用文献	Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021

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BU of 2qh6 by Molmil

Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound
分子名称:	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2
著者	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.
登録日	2007-06-29
公開日	2008-03-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 2qxm by Molmil

Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP
分子名称:	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2
著者	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.
登録日	2007-08-12
公開日	2008-03-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 2qgt by Molmil

Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound
分子名称:	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2
著者	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.
登録日	2007-06-29
公開日	2008-03-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 2qab by Molmil

Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound
分子名称:	3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2
著者	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.
登録日	2007-06-14
公開日	2008-03-18
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.89 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 2qa6 by Molmil

Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
分子名称:	4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2
著者	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.
登録日	2007-06-14
公開日	2008-03-18
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 2q6j by Molmil

Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand
分子名称:	4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide
著者	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.
登録日	2007-06-05
公開日	2007-06-26
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands Chem.Biol., 14, 2007

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BU of 2qa8 by Molmil

Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein
分子名称:	Estrogen receptor, GENISTEIN, nuclear receptor coactivator 2
著者	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.
登録日	2007-06-14
公開日	2008-03-18
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 2qgw by Molmil

Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole Compound
分子名称:	3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, Nuclear receptor coactivator 2
著者	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.
登録日	2007-06-29
公開日	2008-03-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.39 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 5kcc by Molmil

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N)
分子名称:	(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
著者	Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日	2016-06-06
公開日	2016-11-16
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.386 Å)
主引用文献	Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017

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BU of 2b23 by Molmil

Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称:	Estrogen receptor, Nuclear receptor coactivator 2
著者	Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
登録日	2005-09-16
公開日	2006-09-19
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 4q13 by Molmil

Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称:	Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
著者	Fanning, S.W, Panchamukhi, S, Greene, G.L.
登録日	2014-04-02
公開日	2015-04-08
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.24 Å)
主引用文献	Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation. Elife, 5, 2016

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BU of 4pxm by Molmil

The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with Estradiol and a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称:	ESTRADIOL, Estrogen receptor, Nuclear receptor coactivator 2
著者	Fanning, S.W, Panchamukhi, S, Greene, G.L.
登録日	2014-03-24
公開日	2015-04-08
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation. Elife, 5, 2016

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BU of 4q50 by Molmil

The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen
分子名称:	4-HYDROXYTAMOXIFEN, Estrogen receptor, SULFATE ION
著者	Fanning, S.W, Greene, G.L.
登録日	2014-04-15
公開日	2015-04-15
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (3.07 Å)
主引用文献	Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation. Elife, 5, 2016

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BU of 2qse by Molmil

Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain complexed with Burned Meat Compound 4-OH-PhIP
分子名称:	4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 2
著者	Nettles, K.W, Bruning, J.B.
登録日	2007-07-30
公開日	2008-03-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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BU of 2qr9 by Molmil

Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound
分子名称:	Estrogen receptor, Nuclear receptor coactivator 2, dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
著者	Nettles, K.W, Bruning, J.B.
登録日	2007-07-27
公開日	2008-03-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008

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