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1XAP
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Structure of the ligand binding domain of the Retinoic Acid Receptor beta
Descriptor: 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Retinoic acid receptor beta
Authors:Germain, P, Kammerer, S, Peluso-Iltis, C, Tortolani, D, Zusi, F.C, Starrett, J, Lapointe, P, Daris, J.P, Marinier, A, De Lera, A.R, Rochel, N, Gronemeyer, H.
Deposit date:2004-08-26
Release date:2004-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational design of RAR-selective ligands revealed by RARbeta crystal structure
Embo Rep., 5, 2004
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
2B23
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Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
Deposit date:2005-09-16
Release date:2006-09-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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
5OW7
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VDR complex
Descriptor: (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Li, W.
Deposit date:2017-08-31
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
1FM6
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THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND ROSIGLITAZONE AND CO-ACTIVATOR PEPTIDES.
Descriptor: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
Authors:Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Miller, A.B, Bledsoe, R.K, Milburn, M.V, Kliewer, S.A, Willson, T.M, Xu, H.E.
Deposit date:2000-08-16
Release date:2001-02-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors.
Mol.Cell, 5, 2000
5GTO
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BU of 5gto by Molmil
Human PPARgamma ligand binding dmain complexed with S35
Descriptor: 2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, MYRISTIC ACID, ...
Authors:Jang, J.Y, Suh, S.W.
Deposit date:2016-08-22
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
4J24
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Estrogen Receptor in complex with proline-flanked LXXLL peptides
Descriptor: 19-mer peptide, ESTRADIOL, Estrogen receptor beta
Authors:Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L.
Deposit date:2013-02-04
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction
J.Am.Chem.Soc., 135, 2013
2P7G
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X-ray Structure of Estrogen Related Receptor g in complex with Bisphenol A.
Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, SODIUM ION
Authors:Abad, M.C.
Deposit date:2007-03-20
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds.
J.Steroid Biochem.Mol.Biol., 108, 2008
2ZXN
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A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Ikura, T, Ito, N.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A New Class of Vitamin D Analogues that Induce Structural Rearrangement of the Ligand-Binding Pocket of the Receptor
J.Med.Chem., 52, 2009
4K6I
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BU of 4k6i by Molmil
Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with Targretin and the coactivator peptide GRIP-1
Descriptor: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-04-15
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
3WMH
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Human PPAR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
Descriptor: N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human PPRR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
TO BE PUBLISHED
4QL8
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Crystal structure of Androgen Receptor in complex with the ligand
Descriptor: 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor
Authors:Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S.
Deposit date:2014-06-11
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
4EM9
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BU of 4em9 by Molmil
Human PPAR gamma in complex with nonanoic acids
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ...
Authors:Liberato, M.V, Nascimento, A.S, Polikarpov, I.
Deposit date:2012-04-11
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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
1UPV
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Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA
Authors:Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H.
Deposit date:2003-10-13
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist
J.Mol.Biol., 334, 2003
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
3B0Q
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Human PPAR gamma ligand binding domain in complex with MCC555
Descriptor: (5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Tomioka, D, Hashimoto, H, Sato, M, Shimizu, T.
Deposit date:2011-06-13
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human PPAR gamma in complex with MCC555
To be Published
3WTQ
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Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Inaba, Y, Itoh, T, Anami, Y, Ikura, T, Ito, N, Yamamoto, K.
Deposit date:2014-04-15
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3
To be Published
2PIR
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BU of 2pir by Molmil
Androgen receptor LBD with small molecule
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SALICYLALDEHYDE, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1ZDT
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The Crystal Structure of Human Steroidogenic Factor-1
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, Steroidogenic factor 1
Authors:Wang, W, Zhang, C, Marimuthu, A, Krupka, H.I, Tabrizizad, M, Shelloe, R, Mehra, U, Eng, K, Nguyen, H, Settachatgul, C, Powell, B, Milburn, M.V, West, B.L.
Deposit date:2005-04-14
Release date:2005-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structures of human steroidogenic factor-1 and liver receptor homologue-1
Proc.Natl.Acad.Sci.USA, 102, 2005
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
6L8B
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The ligand-free structure of human PPARgamma LBD
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Jang, D.M, Han, B.W.
Deposit date:2019-11-05
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma.
Biomolecules, 10, 2020
5T1Z
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Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide
Descriptor: 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Fanning, S.W, Rajan, S.S, Maximov, P.Y, Abderrahman, B.H, Surojeet, S, Fernandes, D.J, Fan, P, Curpan, R.F, Greene, G.L, Jordan, V.C.
Deposit date:2016-08-22
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
5TLX
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide
Descriptor: 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione, 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine, Estrogen receptor, ...
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017

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