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2IOK
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Human estrogen receptor alpha ligand-binding domain in complex with compound 1D
Descriptor: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
2J7Y
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STRUCTURE OF 17-EPIESTRIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5
Descriptor: (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 1,2-ETHANEDIOL, BICARBONATE ION, ...
Authors:Pike, A.C.W, Brzozowski, A.M, Hubbard, R.E, Walton, J, Bonn, T, Thorsell, A.-G, Engstrom, O, Ljunggren, J, Gustaffson, J.-A, Carlquist, M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Agonist-Bound Estrogen Receptor Beta Lbd in Complex with Lxxll Motif from Ncoa5
To be Published
2J7X
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STRUCTURE OF ESTRADIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, ESTRADIOL, ...
Authors:Pike, A.C.W, Brzozowski, A.M, Hubbard, R.E, Walton, J, Bonn, T, Thorsell, A.-G, Engstrom, O, Ljunggren, J, Gustaffson, J.-A, Carlquist, M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Agonist-Bound Estrogen Receptor Beta Lbd in Complex with Lxxll Motif from Ncoa5
To be Published
2NPA
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the crystal structure of the human PPARaplpha ligand binding domain in complex with a a-hydroxyimino phenylpropanoic acid
Descriptor: (2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID, Peroxisome proliferator-activated receptor alpha, SRC- peptide from Nuclear receptor coactivator 1
Authors:Kim, K.H, Chung, H.K, Han, H.O, Kim, S.H, Koh, J.S, Kim, G.T.
Deposit date:2006-10-26
Release date:2007-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of oxime ethers of alpha-acyl-beta-phenylpropanoic acids as PPAR dual agonists
Bioorg.Med.Chem.Lett., 17, 2007
2NV7
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Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
Descriptor: 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-10
Release date:2007-08-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
2NW4
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Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929
Descriptor: 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor
Authors:Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G.
Deposit date:2006-11-14
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats.
Endocrinology, 148, 2007
2E2R
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Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A
Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, GLYCEROL
Authors:Matsushima, A, Kakuta, Y, Teramoto, T, Koshiba, T, Kimura, M, Shimohigashi, Y.
Deposit date:2006-11-16
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Evidence for Endocrine Disruptor Bisphenol A Binding to Human Nuclear Receptor ERR{gamma}
J.Biochem.(Tokyo), 142, 2007
2NXX
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Crystal Structure of the Ligand-Binding Domains of the T.castaneum (Coleoptera) Heterodimer EcrUSP Bound to Ponasterone A
Descriptor: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone Receptor (EcR, NRH1), ...
Authors:Iwema, T, Billas, I, Moras, D.
Deposit date:2006-11-20
Release date:2007-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional characterization of a novel type of ligand-independent RXR-USP receptor.
Embo J., 26, 2007
2O4J
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Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20Z and the NR2 Box of DRIP 205
Descriptor: (1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor
Authors:Vanhooke, J.L, Benning, M.M, DeLuca, H.F.
Deposit date:2006-12-04
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
2O4R
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Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and the NR2 Box of DRIP 205
Descriptor: (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor
Authors:Vanhooke, J.L, Benning, M.M, DeLuca, H.F.
Deposit date:2006-12-04
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
2O9I
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Crystal Structure of the Human Pregnane X Receptor LBD in complex with an SRC-1 coactivator peptide and T0901317
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear Receptor Coactivator 1 isoform 3, Orphan nuclear receptor PXR
Authors:Xue, Y, Redinbo, M.R.
Deposit date:2006-12-13
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the PXR-T1317 complex provides a scaffold to examine the potential for receptor antagonism.
Bioorg.Med.Chem., 15, 2007
2OAX
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Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420
Descriptor: Mineralocorticoid receptor, SPIRONOLACTONE
Authors:Huyet, J, Pinon, G.M, Fay, M.R, Rafestin-Oblin, M.E, Fagart, J.
Deposit date:2006-12-18
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of spirolactone recognition by the mineralocorticoid receptor
Mol.Pharmacol., 72, 2007
2OCF
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Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the E2#23 FN3 monobody
Descriptor: ESTRADIOL, Estrogen receptor, Fibronectin
Authors:Rajan, S.S, Kuruvilla, S.M, Sharma, S.K, Kim, Y, Huang, J, Koide, A, Koide, S, Joachimiak, A, Greene, G.L.
Deposit date:2006-12-20
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Probing protein conformational changes in living cells by using designer binding proteins: application to the estrogen receptor.
Proc.Natl.Acad.Sci.USA, 99, 2002
2OM9
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Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma
Descriptor: (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Ambrosio, A.L.B, Garratt, R.C.
Deposit date:2007-01-21
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ajulemic Acid, a Synthetic Nonpsychoactive Cannabinoid Acid, Bound to the Ligand Binding Domain of the Human Peroxisome Proliferator-activated Receptor gamma
J.Biol.Chem., 282, 2007
2JF9
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ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST
Descriptor: 1,2-ETHANEDIOL, 4-HYDROXYTAMOXIFEN, AB5 PEPTIDE, ...
Authors:Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W.
Deposit date:2007-01-29
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
2JFA
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ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH AN AFFINITY-SELECTED COREPRESSOR PEPTIDE
Descriptor: COREPRESSOR PEPTIDE, ESTROGEN RECEPTOR, RALOXIFENE, ...
Authors:Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W.
Deposit date:2007-01-29
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
2OUZ
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Crystal Structure of Estrogen Receptor alpha-lasofoxifene complex
Descriptor: (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor
Authors:Vajdos, F.F, Pandit, J.
Deposit date:2007-02-12
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0 A crystal structure of the ER{alpha} ligand-binding domain complexed with lasofoxifene
Protein Sci., 16, 2007
2OVH
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Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT
Descriptor: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, Progesterone receptor, SMRT peptide
Authors:Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P.
Deposit date:2007-02-13
Release date:2007-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
2OVM
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Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR
Descriptor: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, NCoR, Progesterone receptor
Authors:Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P.
Deposit date:2007-02-14
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
2OZ7
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Crystal structure of the human androgen receptor T877A mutant ligand-binding domain with cyproterone acetate
Descriptor: Androgen receptor, CYPROTERONE ACETATE
Authors:Bohl, C.E, Wu, Z, Miller, D.D, Bell, C.E, Dalton, J.T.
Deposit date:2007-02-25
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the T877A human androgen receptor ligand-binding domain complexed to cyproterone acetate provides insight for ligand-induced conformational changes and structure-based drug design.
J.Biol.Chem., 282, 2007
2P15
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Crystal structure of the ER alpha ligand binding domain with the agonist ortho-trifluoromethylphenylvinyl estradiol
Descriptor: (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, GRIP peptide
Authors:Bruning, J.B, Nettles, K.W, Greene, G.L, Kim, Y.
Deposit date:2007-03-02
Release date:2007-05-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural plasticity in the oestrogen receptor ligand-binding domain.
Embo Rep., 8, 2007
2P1U
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Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
Descriptor: (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W, Nahoum, V.
Deposit date:2007-03-06
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2P1V
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Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
Descriptor: (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W, Nahoum, V.
Deposit date:2007-03-06
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2P1T
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Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
Descriptor: (2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W, Nahoum, V.
Deposit date:2007-03-06
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2P4Y
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Crystal structure of human PPAR-gamma-ligand binding domain complexed with an indole-based modulator
Descriptor: (2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peroxisome proliferator-activated receptor gamma
Authors:McKeever, B.M.
Deposit date:2007-03-13
Release date:2008-01-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The differential interactions of peroxisome proliferator-activated receptor gamma ligands with Tyr473 is a physical basis for their unique biological activities.
Mol.Pharmacol., 73, 2008

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