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5DL4
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Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol
Descriptor: 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-04
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3VT8
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Crystal structures of rat VDR-LBD with W282R mutation
Descriptor: (1R,3R,7E,9beta,17beta)-9-butyl-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
4ZI1
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HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH KB095285 AND CIA12 COACTIVATOR PEPTIDE
Descriptor: 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol, Estrogen receptor beta, Nuclear receptor coactivator 5
Authors:Kauppi, B, Bonn, T.
Deposit date:2015-04-27
Release date:2016-06-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH KB095285 AND CIA12 COACTIVATOR PEPTIDE
To Be Published
5NFP
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Glucocorticoid Receptor in complex with budesonide
Descriptor: (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-03-15
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
8FHF
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BU of 8fhf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
Descriptor: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
To Be Published
3HVL
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BU of 3hvl by Molmil
Tethered PXR-LBD/SRC-1p complexed with SR-12813
Descriptor: Pregnane X receptor, Linker, Steroid receptor coactivator 1, ...
Authors:Lesburg, C.A, Wang, W, Prosise, W.W, Chen, J, Taremi, S.S, Le, H.V, Madison, V, Cui, X, Thomas, A, Cheng, K.C.
Deposit date:2009-06-16
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability
Protein Eng.Des.Sel., 21, 2008
7AHJ
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BU of 7ahj by Molmil
Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
Descriptor: 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Schoenmakers, E, Schwabe, B.T.W, Fairall, L, Chatterjee, K, Schwabe, J.W.R.
Deposit date:2020-09-24
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
To Be Published
6F2L
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Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, M.
Deposit date:2017-11-24
Release date:2018-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
8DU6
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-((1-ethylazetidin-3-yl)oxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
Descriptor: Estrogen receptor, [(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Authors:Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
Deposit date:2022-07-27
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
1PZL
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BU of 1pzl by Molmil
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
5U3U
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BU of 5u3u by Molmil
Human PPARdelta ligand-binding domain in complexed with specific agonist 5
Descriptor: 6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ...
Authors:Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P.
Deposit date:2016-12-03
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KRO
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BU of 5kro by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
Descriptor: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-07-07
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 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
7UW4
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BU of 7uw4 by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Chattopadhyay, D, Yang, Z, Atigadda, V.
Deposit date:2022-05-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
2I4J
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BU of 2i4j by Molmil
Crystal structure of the complex between PPARgamma and the agonist LT160 (ureidofibrate derivative)
Descriptor: (2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Mazza, F.
Deposit date:2006-08-22
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands
J.Biol.Chem., 282, 2007
1ZDT
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BU of 1zdt by Molmil
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
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
4OKX
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BU of 4okx by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-23
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
1UPV
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BU of 1upv by Molmil
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
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
8B90
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Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d)
Descriptor: 5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
2P7G
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BU of 2p7g by Molmil
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
2HVC
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BU of 2hvc by Molmil
The Crystal Structure of Ligand-binding Domain (LBD) of human Androgen Receptor in Complex with a selective modulator LGD2226
Descriptor: 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE, Androgen receptor
Authors:Wang, F, Liu, X.-Q, Li, H, Liang, K.-N, Miner, J.N, Hong, M, Kallel, E.A, van Oeveren, A, Zhi, L, Jiang, T.
Deposit date:2006-07-28
Release date:2007-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the ligand-binding domain (LBD) of human androgen receptor in complex with a selective modulator LGD2226
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
3HOD
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Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid
Descriptor: (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E.
Deposit date:2009-06-02
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
5ZXI
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Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD
Descriptor: 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Rani, S.T, Laxminarasimhan, A, Senaiar, R.S, Krishnamurthy, N.
Deposit date:2018-05-21
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective PPAR delta Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD).
ACS Med Chem Lett, 9, 2018
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

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