7BNU
 
 | | VDR complex with BXL-62 | | Descriptor: | 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
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3GYT
 | | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4 | | Descriptor: | (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | | Authors: | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | | Deposit date: | 2009-04-05 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes.
Proc.Natl.Acad.Sci.USA, 106, 2009
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1RDT
 | | Crystal Structure of a new rexinoid bound to the RXRalpha ligand binding doamin in the RXRalpha/PPARgamma heterodimer | | Descriptor: | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID, 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, LxxLL motif coactivator, ... | | Authors: | Haffner, C.D, Lenhard, J.M, Miller, A.B, McDougald, D.L, Dwornik, K, Ittoop, O.R, Gampe Jr, R.T, Xu, H.E, Blanchard, S, Montana, V.G. | | Deposit date: | 2003-11-06 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of potent retinoid X receptor alpha agonists.
J.Med.Chem., 47, 2004
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6O3Z
 | | Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1) | | Descriptor: | 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant | | Authors: | Min, X, Wang, Z. | | Deposit date: | 2019-02-27 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
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3FEI
 | | Design and biological evaluation of novel, balanced dual PPARa/g agonists | | Descriptor: | (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | Authors: | Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D. | | Deposit date: | 2008-11-30 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
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5Q0N
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | 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: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.4 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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3IPU
 | | X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha | | Descriptor: | 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | Deposit date: | 2009-08-18 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
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5LWP
 | | Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists | | Descriptor: | 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma | | Authors: | Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F. | | Deposit date: | 2016-09-19 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
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3L0J
 | | Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand | | Descriptor: | (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2 | | Authors: | Martynowski, D, Li, Y. | | Deposit date: | 2009-12-10 | | Release date: | 2010-03-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
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5NTI
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5E7V
 | | Potent Vitamin D Receptor Agonist | | Descriptor: | 1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Otero, R, Seoane, S, Sigueiro, R, Belorusova, A.Y, Maestro, M.A, Perez-Fernandez, R, Rochel, N, Mourino, A. | | Deposit date: | 2015-10-13 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Carborane-based design of a potent vitamin D receptor agonist.
Chem Sci, 7, 2016
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6BN6
 | | IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION | | Authors: | Sack, J. | | Deposit date: | 2017-11-16 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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3CWD
 | | Molecular recognition of nitro-fatty acids by PPAR gamma | | Descriptor: | (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid, (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Martynowski, D, Li, Y. | | Deposit date: | 2008-04-21 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular recognition of nitrated fatty acids by PPAR gamma.
Nat.Struct.Mol.Biol., 15, 2008
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1TFC
 | | CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE ESTROGEN-RELATED RECEPTOR GAMMA IN COMPLEX WITH A STEROID RECEPTOR COACTIVATOR-1 PEPTIDE | | Descriptor: | Estrogen-related receptor gamma, steroid receptor coactivator-1 | | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | | Deposit date: | 2004-05-27 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
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3GYU
 | | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 7 | | Descriptor: | (5beta,14beta,17alpha,25R)-3-oxocholest-7-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | | Authors: | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | | Deposit date: | 2009-04-05 | | Release date: | 2009-07-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6LOB
 | | Crystal structure of RORgammat with ligand C46D bound | | Descriptor: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Feng, Y, Shijie, C. | | Deposit date: | 2020-01-04 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006661 Å) | | Cite: | Crystal structure of RORgammat with ligand C46D bound
To Be Published
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5OW9
 | | Vitamin D receptor complex | | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, 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 (2.403 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
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6ILQ
 | | Crystal structure of PPARgamma with compound BR101549 | | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | | Deposit date: | 2018-10-19 | | Release date: | 2019-09-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.408 Å) | | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR.
Bioorg.Med.Chem.Lett., 29, 2019
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7KXE
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7WGQ
 | | X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization | | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma | | Authors: | Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | | Deposit date: | 2021-12-28 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
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7JTM
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST | | Descriptor: | Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-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.S. | | Deposit date: | 2020-08-18 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization.
Bioorg.Med.Chem.Lett., 30, 2020
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7BPZ
 | | X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-03-23 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6NWS
 | | RORgamma Ligand Binding Domain | | Descriptor: | 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide, Nuclear receptor ROR-gamma | | Authors: | Strutzenberg, T.S, Park, H.J, Griffin, P.R. | | Deposit date: | 2019-02-07 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
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4DK7
 | | Crystal structure of LXR ligand binding domain in complex with full agonist 1 | | Descriptor: | ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ... | | Authors: | Piper, D.E, Xu, H. | | Deposit date: | 2012-02-03 | | Release date: | 2012-03-21 | | Last modified: | 2012-05-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22, 2012
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8GXP
 | | Complex structure of RORgama with betulinic acid | | Descriptor: | Betulinic acid, Nuclear receptor ROR-gamma | | Authors: | Zhang, X.L, Xu, C, Bai, F. | | Deposit date: | 2022-09-20 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
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