5Q0Q
 
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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2Z4J
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1XVP
 | | 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
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5DKE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-naphthyl-substituted, methyl, cis-diaryl-ethylene compound 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol | | Descriptor: | 4,4'-[2-(naphthalen-2-yl)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: | 2015-09-03 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5HJP
 | | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | | Authors: | Parthasarathy, G, Klein, D. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
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7UJW
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities | | Descriptor: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-03-31 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
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2QA6
 | | Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol | | Descriptor: | 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2 | | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | | Deposit date: | 2007-06-14 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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8BFF
 | | Human PPARgamma in complex with MINCH bound to the AF-2 sub-pocket | | Descriptor: | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Useini, A, Straeter, N. | | Deposit date: | 2022-10-25 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH.
Environ Int, 173, 2023
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2OVM
 | | 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
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2GPP
 | | Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716 | | Descriptor: | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | | 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 (2.6 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
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5DKS
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 2-naphthylamino-substituted, ethyl, triaryl-ethylene derivative 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol | | Descriptor: | 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-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: | 2015-09-03 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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2HCD
 | | Crystal structure of the ligand binding domain of the Vitamin D nuclear receptor in complex with Gemini and a coactivator peptide | | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | | Authors: | Ciesielski, F, Rochel, N, Moras, D. | | Deposit date: | 2006-06-16 | | Release date: | 2007-05-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation
J.Steroid Biochem.Mol.Biol., 103, 2007
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3HC5
 | | FXR with SRC1 and GSK826 | | Descriptor: | 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2009-05-05 | | Release date: | 2009-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
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1ERR
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4JYH
 | | Crystal structure of RARbeta LBD in complex with selective agonist BMS948 [4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid] | | Descriptor: | 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid, CITRATE ANION, Nuclear receptor coactivator 1, ... | | Authors: | Nadendla, E.K, Teyssier, C, Germain, P, Delfosse, V, Bourguet, W. | | Deposit date: | 2013-03-29 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor beta (RAR beta , NR1B2) Selective Agonist.
Plos One, 10, 2015
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5ZQU
 | | 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
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7VUE
 | | Structural insight of the molecular mechanism of cilofexor bound to FXR | | Descriptor: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | | Authors: | Jiang, L, Chen, Y.C. | | Deposit date: | 2021-11-02 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor.
Biochem.Biophys.Res.Commun., 595, 2022
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2YAT
 | | Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex | | Descriptor: | ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ... | | Authors: | Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L. | | Deposit date: | 2011-02-24 | | Release date: | 2011-06-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators.
J.Med.Chem., 54, 2011
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5TM2
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide | | Descriptor: | 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.603 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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4N1Y
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6U25
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | | Descriptor: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | | Authors: | Sack, J. | | Deposit date: | 2019-08-19 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
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2ZK1
 | | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 15-deoxy-delta12,14-prostaglandin J2 | | Descriptor: | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | | Deposit date: | 2008-03-12 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
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3VJI
 | | Human PPAR gamma ligand binding domain in complex with JKPL53 | | Descriptor: | (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | | Deposit date: | 2011-10-20 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
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6LN4
 | | Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a | | Descriptor: | 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2019-12-28 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
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5I4V
 | | Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists | | Descriptor: | Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol | | Authors: | Chen, G, McKeever, B.M. | | Deposit date: | 2016-02-12 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
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