3RLJ
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![BU of 3rlj by Molmil](/molmil-images/mine/3rlj) | Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22 | Descriptor: | (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor | Authors: | Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D. | Deposit date: | 2011-04-19 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets. J.Med.Chem., 54, 2011
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3R8D
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3R8I
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![BU of 3r8i by Molmil](/molmil-images/mine/3r8i) | Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86) | Descriptor: | 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Loiodice, F, Laghezza, A, Fracchiolla, G, Lavecchia, A, Novellino, E, Crestani, M. | Deposit date: | 2011-03-24 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity. J.Med.Chem., 55, 2012
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3R29
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![BU of 3r29 by Molmil](/molmil-images/mine/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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3R2A
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![BU of 3r2a by Molmil](/molmil-images/mine/3r2a) | Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 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 (3 Å) | Cite: | Structural basis for retinoic x receptor repression on the tetramer. J.Biol.Chem., 286, 2011
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3SZ1
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![BU of 3sz1 by Molmil](/molmil-images/mine/3sz1) | Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ... | Authors: | Puhl, A.C, Bernardes, A, Polikarpov, I. | Deposit date: | 2011-07-18 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mode of peroxisome proliferator-activated receptor gamma activation by luteolin. Mol.Pharmacol., 81, 2012
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3SP9
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![BU of 3sp9 by Molmil](/molmil-images/mine/3sp9) | Structural basis for iloprost as a dual PPARalpha/delta agonist | Descriptor: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Rong, H, Li, Y. | Deposit date: | 2011-07-01 | Release date: | 2011-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J.Biol.Chem., 286, 2011
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3R8A
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6S4N
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![BU of 6s4n by Molmil](/molmil-images/mine/6s4n) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | Descriptor: | 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid, Oxysterols receptor LXR-beta, SULFATE ION | Authors: | Sandmark, J, Jansson, A. | Deposit date: | 2019-06-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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3RUU
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![BU of 3ruu by Molmil](/molmil-images/mine/3ruu) | FXR with SRC1 and GSK237 | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2011-05-05 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene. Bioorg.Med.Chem.Lett., 21, 2011
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6S4U
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![BU of 6s4u by Molmil](/molmil-images/mine/6s4u) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | Descriptor: | 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide, Oxysterols receptor LXR-beta | Authors: | Sandmark, J, Jansson, A. | Deposit date: | 2019-06-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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3RUT
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![BU of 3rut by Molmil](/molmil-images/mine/3rut) | FXR with SRC1 and GSK359 | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2011-05-05 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene. Bioorg.Med.Chem.Lett., 21, 2011
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3SP6
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![BU of 3sp6 by Molmil](/molmil-images/mine/3sp6) | Structural basis for iloprost as a dual PPARalpha/delta agonist | Descriptor: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-beta | Authors: | Rong, H, Li, Y. | Deposit date: | 2011-07-01 | Release date: | 2011-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J.Biol.Chem., 286, 2011
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6S4T
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![BU of 6s4t by Molmil](/molmil-images/mine/6s4t) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | Descriptor: | 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid, Oxysterols receptor LXR-beta | Authors: | Sandmark, J, Jansson, A. | Deposit date: | 2019-06-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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6S5K
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![BU of 6s5k by Molmil](/molmil-images/mine/6s5k) | LXRbeta ligand binding domain in complex with small molecule inhibitors | Descriptor: | 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione, Oxysterols receptor LXR-beta | Authors: | Petersen, J. | Deposit date: | 2019-07-01 | Release date: | 2019-12-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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6SBO
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![BU of 6sbo by Molmil](/molmil-images/mine/6sbo) | Estrogen receptor mutant L536S | Descriptor: | 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor | Authors: | Vallee, F, Steier, V, Rak, A. | Deposit date: | 2019-07-22 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer. J.Med.Chem., 63, 2020
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6SAL
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![BU of 6sal by Molmil](/molmil-images/mine/6sal) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26 | Descriptor: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Doveston, R.G, Brunsveld, L. | Deposit date: | 2019-07-17 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor gamma t (ROR gamma t) Inverse Agonists. J.Med.Chem., 63, 2020
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3RLL
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![BU of 3rll by Molmil](/molmil-images/mine/3rll) | Crystal structure of the T877A androgen receptor ligand binding domain in complex with (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanonaphthalen-1-yloxy)-2-hydroxy-2-methylpropanamide | Descriptor: | (2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor | Authors: | Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D. | Deposit date: | 2011-04-19 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets. J.Med.Chem., 54, 2011
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6SJM
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![BU of 6sjm by Molmil](/molmil-images/mine/6sjm) | Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) | Descriptor: | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chaikuad, A, Pollinger, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-13 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences. Acs Med.Chem.Lett., 10, 2019
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3U9Q
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3TKC
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![BU of 3tkc by Molmil](/molmil-images/mine/3tkc) | Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2011-08-26 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains. Chemistry, 18, 2012
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6SQ0
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3R5N
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![BU of 3r5n by Molmil](/molmil-images/mine/3r5n) | Crystal structure of PPARgammaLBD complexed with the agonist magnolol | Descriptor: | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Peroxisome proliferator-activated receptor gamma | Authors: | Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2011-03-18 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma). Plos One, 6, 2011
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6SUO
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![BU of 6suo by Molmil](/molmil-images/mine/6suo) | ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6) | Descriptor: | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2019-09-16 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry. Acs Med.Chem.Lett., 10, 2019
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6R7J
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![BU of 6r7j by Molmil](/molmil-images/mine/6r7j) | Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2019-03-29 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
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