2LDC
| Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP1 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-20 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
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7RAF
| AncAR1-Rev - progesterone - Tif2 | Descriptor: | Ancestral androgen receptor, GLYCEROL, PROGESTERONE, ... | Authors: | Colucci, J.K. | Deposit date: | 2021-07-01 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | AncAR1-Rev - progesterone - Tif2 To Be Published
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7RAE
| AncAR1 - progesterone - Tif2 | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Ancestral androgen receptor, GLYCEROL, ... | Authors: | Ortlund, E.A. | Deposit date: | 2021-07-01 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | AncAR1 - DHT - Tif2 To Be Published
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4FHI
| Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, SRC-1, Vitamin Nuclear Receptor | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | Deposit date: | 2012-06-06 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
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5LGA
| Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D | Descriptor: | (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC-2, Vitamin D3 receptor A | Authors: | Belorusova, A.Y, Rochel, N. | Deposit date: | 2016-07-06 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis and biological activities of BXL0124, a gemini analog of vitamin D. J. Steroid Biochem. Mol. Biol., 173, 2017
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7YMK
| Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-07-28 | Release date: | 2023-05-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer. Acta Pharm Sin B, 13, 2023
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7SFO
| Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide | Descriptor: | 3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Joyner, C, Reddy, V.K, Wilson, T, Fanning, S.W. | Deposit date: | 2021-10-04 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Estrogen Receptor Alpha To Be Published
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6CZN
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide | Descriptor: | 4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol, Estrogen receptor, GRIP Peptide | Authors: | Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L. | Deposit date: | 2018-04-09 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide To Be Published
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7BK4
| Crystal structure of RXRalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | Descriptor: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | le Maire, A, Bourguet, W. | Deposit date: | 2021-01-15 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
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6D0F
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide | Descriptor: | 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol, Estrogen receptor, GRIP Peptide | Authors: | Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L. | Deposit date: | 2018-04-10 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide To Be Published
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6R7A
| Ligand complex of RORg LBD | Descriptor: | LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, SODIUM ION, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2019-03-28 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
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6R7J
| Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2019-03-29 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
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6R7K
| Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F, von Berg, S. | Deposit date: | 2019-03-29 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
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4CSJ
| The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation | Descriptor: | 1,2-ETHANEDIOL, GLUCOCORTICOID RECEPTOR, N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, ... | Authors: | Edman, K, Ahlgren, R, Bengtsson, M, Bladh, H, Backstrom, S, Dahmen, J, Henriksson, K, Hillertz, P, Hulikal, V, Jerre, A, Kinchin, L, Kase, C, Lepisto, M, Mile, I, Nilsson, S, Smailagic, A, Taylor, J, Tjornebo, A, Wissler, L, Hansson, T. | Deposit date: | 2014-03-07 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation. Bioorg.Med.Chem.Lett., 24, 2014
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7RKE
| Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide | Descriptor: | 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | Deposit date: | 2021-07-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core. Acs Med.Chem.Lett., 13, 2022
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2YJD
| Stapled peptide bound to Estrogen Receptor Beta | Descriptor: | 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL, ESTROGEN RECEPTOR BETA, STAPLED PEPTIDE | Authors: | Phillips, C, Roberts, L.R, Schade, M, Bent, A, Davies, N.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Irving, S.L. | Deposit date: | 2011-05-19 | Release date: | 2011-08-03 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
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6ESN
| Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-10-23 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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7KCO
| ROR gamma in complex with SCR2 and compound 3 | Descriptor: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K. | Deposit date: | 2020-10-06 | Release date: | 2021-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t). J.Med.Chem., 64, 2021
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2QGT
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound | Descriptor: | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2 | 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: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QA8
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein | Descriptor: | Estrogen receptor, GENISTEIN, nuclear receptor coactivator 2 | 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: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QGW
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole Compound | Descriptor: | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, Nuclear receptor coactivator 2 | 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: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QR9
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound | Descriptor: | 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 | Authors: | Nettles, K.W, Bruning, J.B. | Deposit date: | 2007-07-27 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QZO
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916 | Descriptor: | 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. | Deposit date: | 2007-08-16 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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3K22
| Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide | Descriptor: | Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ... | Authors: | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | Deposit date: | 2009-09-29 | Release date: | 2010-08-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Proc.Natl.Acad.Sci.USA, 106, 2009
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6KKE
| THRb mutation with a novel agonist | Descriptor: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-07-25 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.577 Å) | Cite: | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
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