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1XOW
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Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor NH2-terminal peptide, AR20-30, and R1881
Descriptor: (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, androgen receptor, decamer fragment of androgen receptor
Authors:He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M.
Deposit date:2004-10-07
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance
Mol.Cell, 16, 2004
1XP1
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
Descriptor: (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-07
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XPC
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 19
Descriptor: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP6
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16
Descriptor: (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP9
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18
Descriptor: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XQ3
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Crystal structure of the human androgen receptor ligand binding domain bound with R1881
Descriptor: (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, androgen receptor
Authors:He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M.
Deposit date:2004-10-11
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance
Mol.Cell, 16, 2004
1XQC
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X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution
Descriptor: (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL, Estrogen receptor
Authors:Renaud, J, Bischoff, S.F, Buhl, T, Floersheim, P, Fournier, B, Geiser, M, Halleux, C, Kallen, J, Keller, H.J, Ramage, P.
Deposit date:2004-10-12
Release date:2005-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Selective Estrogen Receptor Modulators with Conformationally Restricted Side Chains. Synthesis and Structure-Activity Relationship of ERalpha-Selective Tetrahydroisoquinoline Ligands
J.Med.Chem., 48, 2005
1XV9
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BU of 1xv9 by Molmil
crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione.
Descriptor: (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
Authors:Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
Deposit date:2004-10-27
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1XVP
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crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO
Descriptor: 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
Authors:Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
Deposit date:2004-10-28
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
1XZX
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Thyroxine-Thyroid Hormone Receptor Interactions
Descriptor: 3,5,3'TRIIODOTHYRONINE, CACODYLATE ION, Thyroid hormone receptor beta-1
Authors:Sandler, B, Webb, P, Apriletti, J.W, Huber, B.R, Togashi, M, Cunha Lima, S.T, Juric, S, Nilsson, S, Wagner, R, Fletterick, R.J, Baxter, J.D.
Deposit date:2004-11-12
Release date:2004-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Thyroxine-thyroid hormone receptor interactions.
J.Biol.Chem., 279, 2004
1Y0X
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Thyroxine-Thyroid Hormone Receptor Interactions
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, CACODYLATE ION, Thyroid hormone receptor beta-1
Authors:Sandler, B, Webb, P, Apriletti, J.W, Huber, B.R, Togashi, M, Cunha Lima, S.T, Juric, S, Nilsson, S, Wagner, R, Fletterick, R.J, Baxter, J.D.
Deposit date:2004-11-16
Release date:2004-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Thyroxine-thyroid hormone receptor interactions.
J.Biol.Chem., 279, 2004
1Y0S
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Crystal structure of PPAR delta complexed with GW2331
Descriptor: (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID, IODIDE ION, Peroxisome proliferator activated receptor delta, ...
Authors:Takada, I, Yu, R.T, Xu, H.E, Xu, R.X, Lambert, M.H, Montana, V.G, Kliewer, S.A, Evans, R.M, Umesono, K.
Deposit date:2004-11-16
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Alteration of a Single Amino Acid in Peroxisome Proliferator-Activated Receptor-alpha (PPARalpha) Generates a PPAR delta Phenotype
MOL.ENDOCRINOL., 14, 2000
1Y9R
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BU of 1y9r by Molmil
Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone and harboring the S810L mutation responsible for a severe form of hypertension
Descriptor: DESOXYCORTICOSTERONE, Mineralocorticoid receptor
Authors:Fagart, J, Huyet, J, Pinon, G.M, Rochel, M, Mayer, C, Rafestin-Oblin, M.E.
Deposit date:2004-12-16
Release date:2005-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of a mutant mineralocorticoid receptor responsible for hypertension
Nat.Struct.Mol.Biol., 12, 2005
1YA3
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Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to progesterone and harboring the S810L mutation responsible for a severe form of hypertension
Descriptor: Mineralocorticoid receptor, PROGESTERONE
Authors:Fagart, J, Huyet, J, Pinon, G.M, Rochel, M, Mayer, C, Rafestin-Oblin, M.E.
Deposit date:2004-12-17
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of a mutant mineralocorticoid receptor responsible for hypertension
Nat.Struct.Mol.Biol., 12, 2005
1YIN
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BU of 1yin by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 3F
Descriptor: (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1YIM
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Human estrogen receptor alpha ligand-binding domain in complex with compound 4
Descriptor: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1YJE
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Crystal structure of the rNGFI-B ligand-binding domain
Descriptor: Orphan nuclear receptor NR4A1
Authors:Flaig, R, Greschik, H, Peluso-Iltis, C, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2005-01-14
Release date:2005-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the cell-specific activities of the NGFI-B and the Nurr1 ligand-binding domain.
J.Biol.Chem., 280, 2005
1YMT
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Mouse SF-1 LBD
Descriptor: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1
Authors:Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
Deposit date:2005-01-21
Release date:2005-03-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
1YOK
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crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2
Authors:Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, MacKay, J.A, Juzumiene, D, Bynum, J.M, Madauss, K, Montana, V, Lebedeva, L, Suzawa, M, Williams, J.D, Williams, S.P, Guy, R.K, Thornton, J.W, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
Deposit date:2005-01-27
Release date:2005-07-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1.
Cell(Cambridge,Mass.), 120, 2005
2BJ4
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ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A PHAGE-DISPLAY DERIVED PEPTIDE ANTAGONIST
Descriptor: 4-HYDROXYTAMOXIFEN, ESTROGEN RECEPTOR, PEPTIDE ANTAGONIST
Authors:Kong, E, Heldring, N, Gustafsson, J.A, Treuter, E, Hubbard, R.E, Pike, A.C.W.
Deposit date:2005-01-28
Release date:2005-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Delineation of a Unique Protein-Protein Interaction Site on the Surface of the Estrogen Receptor
Proc.Natl.Acad.Sci.USA, 102, 2005
1YP0
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Structure of the steroidogenic factor-1 ligand binding domain bound to phospholipid and a SHP peptide motif
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0, group B, ...
Authors:Li, Y, Choi, M, Cavey, G, Daugherty, J, Suino, K, Kovach, A, Bingham, N, Kliewer, S, Xu, H.
Deposit date:2005-01-28
Release date:2005-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic identification and functional characterization of phospholipids as ligands for the orphan nuclear receptor steroidogenic factor-1.
Mol.Cell, 17, 2005
1YOW
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human Steroidogenic Factor 1 LBD with bound Co-factor Peptide
Descriptor: PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide
Authors:Krylova, I.N, Sablin, E.P, Xu, R.X, Waitt, G.M, Juzumiene, D, Williams, J.D, Ingraham, H.A, Willson, T.M, Williams, S.P, Montana, V, Madauss, K.P, Moore, J, Bynum, J.M, Lebedeva, L, MacKay, J.A, Suzawa, M, Guy, R.K, Thornton, J.W.
Deposit date:2005-01-28
Release date:2005-05-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
1YUC
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Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP
Descriptor: GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor 0B2, ...
Authors:Ortlund, E.A, Yoonkwang, L, Solomon, I.H, Hager, J.M, Safi, R, Choi, Y, Guan, Z, Tripathy, A, Raetz, C.R.H, McDonnell, D.P, Moore, D.D, Redinbo, M.R.
Deposit date:2005-02-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP
Nat.Struct.Mol.Biol., 12, 2005
1YY4
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Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
Descriptor: 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2005-02-23
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
1YYE
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Crystal structure of estrogen receptor beta complexed with way-202196
Descriptor: 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
Deposit date:2005-02-24
Release date:2006-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005

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