4G1Y
| Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-11 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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2GPV
| Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma, Nuclear receptor corepressor 2 | 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 (2.85 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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3IXP
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4JAZ
| Crystal structure of the complex between PPARgamma LBD and trans-resveratrol | Descriptor: | Peroxisome proliferator-activated receptor gamma, RESVERATROL | Authors: | Pochetti, G, Capelli, D, Montanari, R, Calleri, E, Moaddel, R, Temporini, C. | Deposit date: | 2013-02-19 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Resveratrol and Its Metabolites Bind to PPARs. Chembiochem, 15, 2014
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2VV3
| hPPARgamma Ligand binding domain in complex with 4-oxoDHA | Descriptor: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | Deposit date: | 2008-06-02 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids. Nat.Struct.Mol.Biol., 15, 2008
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4NB6
| Crystal structure of the ligand binding domain of RORC with T0901317 | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma | Authors: | Hymowitz, S.G, Boenig-de Leon, G. | Deposit date: | 2013-10-22 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc. Bioorg.Med.Chem.Lett., 23, 2013
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5XPP
| Crystal structure of VDR-LBD complexed with 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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7BJU
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI08346 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, ... | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | Deposit date: | 2021-01-14 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP. J Pestic Sci, 46, 2021
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5WR0
| Huisgen cycloaddition for PPARg-LBD labeling by soaking method | Descriptor: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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7BO6
| VDR complex with LCA derivative | Descriptor: | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2021-01-24 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Lithocholic acid-based design of noncalcemic vitamin D receptor agonists. Bioorg.Chem., 111, 2021
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6B0F
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6KYP
| X-ray structure of human PPARalpha ligand binding domain-GW9662-clofibric acid co-crystals obtained by delipidation and co-crystallization | Descriptor: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-09-19 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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5EGV
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol | Descriptor: | 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol, Estrogen receptor, NCOA2 | 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: | 2015-10-27 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.863 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6UCG
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6A5W
| FXR-LBD with HNC143 and SRC1 | Descriptor: | 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, Nuclear receptor coactivator 1 | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.88 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
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8SVU
| Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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5K3M
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8CCT
| Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | Descriptor: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | Authors: | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A To Be Published
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4G21
| Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-11 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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4PRG
| 0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL | Descriptor: | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA) | Authors: | Milburn, M.V. | Deposit date: | 1999-05-07 | Release date: | 1999-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation. Proc.Natl.Acad.Sci.USA, 96, 1999
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5AWK
| Crystal structure of VDR-LBD/partial agonist complex: 22S-ethyl analogue | Descriptor: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | Deposit date: | 2015-07-04 | Release date: | 2015-11-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity. Bioorg.Med.Chem., 23, 2015
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3R29
| Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 | Descriptor: | Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha | Authors: | Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X. | Deposit date: | 2011-03-14 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for retinoic x receptor repression on the tetramer. J.Biol.Chem., 286, 2011
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1OT7
| Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR | Descriptor: | 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile Acid Receptor, ISO-URSODEOXYCHOLIC ACID, ... | Authors: | Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2003-03-21 | Release date: | 2004-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR Mol.Cell, 11, 2003
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3NSP
| Crystal structure of tetrameric RXRalpha-LBD | Descriptor: | Retinoid X receptor, alpha | Authors: | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2010-07-02 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor. J.Biol.Chem., 286, 2011
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1WM0
| PPARgamma in complex with a 2-BABA compound | Descriptor: | 14-mer from Nuclear receptor coactivator 2, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome proliferator activated receptor gamma | Authors: | Ostberg, T, Svensson, S, Selen, G, Uppenberg, J, Thor, M, Sundbom, M, Sydow-Backman, M, Gustavsson, A.L, Jendeberg, L. | Deposit date: | 2004-07-01 | Release date: | 2004-09-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects J.Biol.Chem., 279, 2004
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