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1X76
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-697
Descriptor: 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
1X7E
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH WAY-244
Descriptor: Estrogen receptor 1 (alpha), [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE, steroid receptor coactivator-3
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
1XLS
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Crystal structure of the mouse CAR/RXR LBD heterodimer bound to TCPOBOP and 9cRA and a TIF2 peptide containg the third LXXLL motifs
Descriptor: (9cis)-retinoic acid, 3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE, Nuclear receptor coactivator 2, ...
Authors:Suino, K, peng, L, Reynolds, R, Li, Y, Cha, J.-Y, Repa, J.J, Kliewer, S.A, Xu, H.E.
Deposit date:2004-09-30
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The nuclear xenobiotic receptor CAR: structural determinants of constitutive activation and heterodimerization.
Mol.Cell, 16, 2004
2GPU
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Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-Miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-18
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
1T5Z
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Crystal Structure of the Androgen Receptor Ligand Binding Domain (LBD) with DHT and a peptide derived from its physiological coactivator ARA70
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 4
Authors:Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K.
Deposit date:2004-05-05
Release date:2005-01-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
2GWX
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MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor: PROTEIN (PPAR-DELTA)
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V.
Deposit date:1999-03-11
Release date:2000-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
1T63
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Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2
Authors:Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K.
Deposit date:2004-05-05
Release date:2005-01-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
1T76
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Crystal structure of the androgen receptor ligand binding domain in complex with a WxxVW motif
Descriptor: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
Authors:Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
Deposit date:2004-05-08
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
1T73
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Crystal structure of the androgen receptor ligand binding domain in complex with a FxxFF motif
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxFF motif peptide, ...
Authors:Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
Deposit date:2004-05-07
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
1T7R
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Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLF motif
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxLF motif peptide
Authors:Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
Deposit date:2004-05-10
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
2HAR
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BU of 2har by Molmil
Crystal structure of VDR LBD in complex with 2 alpha-(3-hydroxy-1-propoxy) calcitriol
Descriptor: 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2GL8
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Human Retinoic acid receptor RXR-gamma ligand-binding domain
Descriptor: Retinoic acid receptor RXR-gamma
Authors:Min, J.R, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-04-04
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Human Retinoic acid receptor RXR-gamma ligand-binding domain.
To be Published
1X7R
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH GENISTEIN
Descriptor: Estrogen receptor 1 (alpha), GENISTEIN, steroid receptor coactivator-3
Authors:Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S.
Deposit date:2004-08-16
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods
Structure, 12, 2004
1X78
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CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-244
Descriptor: Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1, [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
Authors:Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C.
Deposit date:2004-08-13
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
2GTK
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Structure-based Design of Indole Propionic Acids as Novel PPARag CO-Agonists
Descriptor: (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID, Decamer from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Kuhn, B, Hilpert, H, Benz, J, Binggeli, A, Grether, U, Humm, R, Maerki, H.-P, Meyer, M, Mohr, P.
Deposit date:2006-04-28
Release date:2006-09-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of indole propionic acids as novel PPARalpha/gamma co-agonists
Bioorg.Med.Chem.Lett., 16, 2006
2HB7
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Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol
Descriptor: 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-14
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2GP7
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Estrogen Related Receptor-gamma ligand binding domain
Descriptor: CALCIUM ION, Estrogen-related receptor gamma
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-17
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
2H79
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Crystal Structure of human TR alpha bound T3 in orthorhombic space group
Descriptor: 3,5,3'TRIIODOTHYRONINE, THRA protein
Authors:Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I.
Deposit date:2006-06-01
Release date:2006-07-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function.
J.Mol.Biol., 360, 2006
1TXI
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Crystal structure of the vdr ligand binding domain complexed to TX522
Descriptor: (1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL, Vitamin D receptor
Authors:Moras, D, Rochel, N.
Deposit date:2004-07-05
Release date:2005-05-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Superagonistic Action of 14-epi-Analogs of 1,25-Dihydroxyvitamin D Explained by Vitamin D Receptor-Coactivator Interaction
Mol.Pharmacol., 67, 2005
1XNN
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CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.
Descriptor: Androgen receptor, REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
Authors:Sack, J.
Deposit date:2004-10-05
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.
Bioorg.Med.Chem.Lett., 15, 2005
1XIU
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Crystal structure of the agonist-bound ligand-binding domain of Biomphalaria glabrata RXR
Descriptor: (9cis)-retinoic acid, Nuclear receptor coactivator 1, RXR-like protein
Authors:De Groot, A, De Rosny, E, Juillan-Binard, C, Ferrer, J.-L, Laudet, V, Pebay-Peroula, E, Fontecilla-Camps, J.-C, Borel, F.
Deposit date:2004-09-22
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a Novel Tetrameric Complex of Agonist-bound Ligand-binding Domain of Biomphalaria glabrata Retinoid X Receptor.
J.Mol.Biol., 354, 2005
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
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
1XJ7
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Complex Androgen Receptor LBD and RAC3 peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, RAC3 derived peptide
Authors:Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Buehrer, B.M, Webb, P, Fletterick, R.J, Guy, R.K.
Deposit date:2004-09-22
Release date:2005-01-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor
J.Biol.Chem., 280, 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

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數據於2024-07-24公開中

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