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1PQ9
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HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX
Descriptor: 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL, Oxysterols receptor LXR-beta, benzenesulfonic acid
Authors:Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M.
Deposit date:2003-06-18
Release date:2003-09-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands.
J.Biol.Chem., 278, 2003
5ZWI
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Interaction between Vitamin D receptor (VDR) and a ligand having a dienone group
Descriptor: (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor
Authors:Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K.
Deposit date:2018-05-15
Release date:2018-07-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
5ZQU
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Crystal structure of tetrameric RXRalpha-LBD complexed with partial agonist CBt-PMN
Descriptor: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, BROMIDE ION, Retinoic acid receptor RXR-alpha
Authors:Miyashita, Y, Numoto, N, Arulmozhiraja, S, Nakano, S, Matsuo, N, Shimizu, K, Kakuta, H, Ito, S, Ikura, T, Ito, N, Tokiwa, H.
Deposit date:2018-04-20
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.60038781 Å)
Cite:Dual conformation of the ligand induces the partial agonistic activity of retinoid X receptor alpha (RXR alpha ).
FEBS Lett., 593, 2019
5ZWH
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Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having an ene-ynone group via conjugate addition reaction
Descriptor: (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, (E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, ...
Authors:Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K.
Deposit date:2018-05-15
Release date:2018-07-18
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
6A5Y
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Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
6AD9
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Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9
Descriptor: 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma
Authors:Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
6A5X
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FXR-LBD with HNC180 and SRC1
Descriptor: 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
6A6K
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Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000
Descriptor: 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma
Authors:Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J.
Deposit date:2018-06-28
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer.
J. Med. Chem., 62, 2019
2J7X
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BU of 2j7x by Molmil
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
2J4A
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Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084
Descriptor: 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID, THYROID HORMONE RECEPTOR BETA-1
Authors:Farnegardh, M.
Deposit date:2006-08-28
Release date:2007-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thyroid Receptor Ligands. 6. A High Affinity "Direct Antagonist" Selective for the Thyroid Hormone Receptor.
J.Med.Chem., 49, 2006
1P93
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CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR
Descriptor: DEXAMETHASONE, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M.
Deposit date:2003-05-09
Release date:2003-07-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain: RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM.
J.Biol.Chem., 278, 2003
6A5Z
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Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
5ZWF
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Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a enone with a beta methyl group via conjugate addition reaction
Descriptor: (E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor
Authors:Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K.
Deposit date:2018-05-15
Release date:2018-07-18
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
3IMY
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Structure of TR-beta bound to selective thyromimetic GC-1
Descriptor: Thyroid hormone receptor beta, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
Authors:Bleicher, L, Polikarpov, L, Aparicio, R.
Deposit date:2009-08-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
BMC STRUCT.BIOL., 8, 2008
6A22
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Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T.
Descriptor: 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2018-06-08
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Ternary crystal structure of human ROR gamma ligand-binding-domain, an inhibitor and corepressor peptide provides a new insight into corepressor interaction
Sci Rep, 8, 2018
5ZWE
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Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a vinyl ketone group via conjugate addition reaction
Descriptor: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor
Authors:Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K.
Deposit date:2018-05-15
Release date:2018-07-18
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
3IXP
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Crystal structure of the ecdysone receptor bound to BYI08346
Descriptor: Ecdysone receptor, Gene regulation protein, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Moras, D, Billas, I.M.L, Browning, C.
Deposit date:2009-09-04
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Adaptability of the ecdysone receptor bound to synthetic ligands
To be Published
1PZL
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Crystal structure of HNF4a LBD in complex with the ligand and the coactivator SRC-1 peptide
Descriptor: Hepatocyte nuclear factor 4-alpha, MYRISTIC ACID, steroid receptor coactivator-1
Authors:Duda, K, Chi, Y.-I, Dhe-paganon, S, Shoelson, S.
Deposit date:2003-07-11
Release date:2004-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for HNF-4alpha Activation by Ligand and Coactivator Binding
J.Biol.Chem., 279, 2004
6A60
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Crystal structure of human FXR/RXR-LBD heterodimer bound to GW4064 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
2J14
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3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2
Descriptor: (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA
Authors:Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S.
Deposit date:2006-08-08
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2
Bioorg.Med.Chem.Lett., 16, 2006
2IOG
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Human estrogen receptor alpha ligand-binding domain in complex with compound 11F
Descriptor: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
2IOK
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BU of 2iok by Molmil
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
1NAX
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BU of 1nax by Molmil
Thyroid receptor beta1 in complex with a beta-selective ligand
Descriptor: Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
Authors:Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J.
Deposit date:2002-11-29
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
1N83
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Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor ROR(alpha)-LBD and Cholesterol
Descriptor: CHOLESTEROL, Nuclear receptor ROR-alpha
Authors:Kallen, J.A, Schlaeppi, J.M, Bitsch, F, Geisse, S, Geiser, M, Delhon, I, Fournier, B.
Deposit date:2002-11-19
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure of hROR(alpha) LBD at 1.63A: Structural and Functional data that Cholesterol or a Cholesterol derivative is the natural ligand of ROR(alpha)
Structure, 10, 2002
1NDE
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Estrogen Receptor beta with Selective Triazine Modulator
Descriptor: 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta
Authors:Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H.
Deposit date:2002-12-09
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta
J.Med.Chem., 45, 2002

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