1QKU
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![BU of 1qku by Molmil](/molmil-images/mine/1qku) | WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL | Descriptor: | ESTRADIOL, ESTRADIOL RECEPTOR | Authors: | Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D. | Deposit date: | 1999-08-05 | Release date: | 2000-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a mutant hERalpha ligand-binding domain reveals key structural features for the mechanism of partial agonism. J. Biol. Chem., 276, 2001
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6AUG
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1R20
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![BU of 1r20 by Molmil](/molmil-images/mine/1r20) | Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI06830 | Descriptor: | ECDYSONE RECEPTOR, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE, ... | Authors: | Billas, I.M.L, Iwema, T, Garnier, J.M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-09-25 | Release date: | 2003-11-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor. Nature, 426, 2003
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1R5K
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![BU of 1r5k by Molmil](/molmil-images/mine/1r5k) | Human Estrogen Receptor alpha Ligand-Binding Domain In Complex With GW5638 | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, Estrogen receptor | Authors: | Wu, Y.-L, Yang, X, Ren, Z, McDonnell, D.P, Norris, J.D, Willson, T.M, Greene, G.L. | Deposit date: | 2003-10-10 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for an unexpected mode of SERM-mediated ER antagonism. Mol.Cell, 18, 2005
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1RKH
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![BU of 1rkh by Molmil](/molmil-images/mine/1rkh) | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2AM20R and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, F DeLuca, H. | Deposit date: | 2003-11-21 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
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6B33
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![BU of 6b33 by Molmil](/molmil-images/mine/6b33) | Structure of RORgt in complex with a novel inverse agonist 3 | Descriptor: | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I, Snell, G. | Deposit date: | 2017-09-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists. Chemmedchem, 2019
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1RKG
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![BU of 1rkg by Molmil](/molmil-images/mine/1rkg) | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MbisP and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | Deposit date: | 2003-11-21 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
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6B30
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![BU of 6b30 by Molmil](/molmil-images/mine/6b30) | Structure of RORgt in complex with a novel inverse agonist 1 | Descriptor: | N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-09-20 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds. Bioorg. Med. Chem., 26, 2018
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6AN1
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![BU of 6an1 by Molmil](/molmil-images/mine/6an1) | Crystal structure of the complex between PPARgamma LBD and the ligand AM-879 | Descriptor: | 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Veras, H, Figueira, A.C, le Maire, A. | Deposit date: | 2017-08-11 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.687 Å) | Cite: | Screening for PPAR Non-Agonist Ligands Followed by Characterization of a Hit, AM-879, with Additional No-Adipogenic and cdk5-Mediated Phosphorylation Inhibition Properties. Front Endocrinol (Lausanne), 9, 2018
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1OSH
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![BU of 1osh by Molmil](/molmil-images/mine/1osh) | A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR | Descriptor: | Bile acid receptor, METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE | Authors: | Downes, M, Verdecia, M.A, Roecker, A.J, Hughes, R, Hogenesch, J.B, Kast-Woelbern, H.R, Bowman, M.E, Ferrer, J.-L, Anisfeld, A.M, Edwards, P.A, Rosenfeld, J.M, Alvarez, J.G.A, Noel, J.P, Nicolaou, K.C, Evans, R.M. | Deposit date: | 2003-03-19 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A chemical, genetic, and structural analysis of the nuclear bile acid receptor FXR Mol.Cell, 11, 2003
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1OVL
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![BU of 1ovl by Molmil](/molmil-images/mine/1ovl) | Crystal Structure of Nurr1 LBD | Descriptor: | BROMIDE ION, IODIDE ION, Orphan nuclear receptor NURR1 (MSE 414, ... | Authors: | Wang, Z, Liu, J, Walker, N. | Deposit date: | 2003-03-26 | Release date: | 2003-06-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Function of Nurr1 identifies a Class of Ligand-Independent Nuclear Receptors Nature, 423, 2003
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6AVI
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![BU of 6avi by Molmil](/molmil-images/mine/6avi) | |
1PQC
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![BU of 1pqc by Molmil](/molmil-images/mine/1pqc) | HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Oxysterols receptor LXR-beta | Authors: | Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. | Deposit date: | 2003-06-18 | Release date: | 2003-09-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J.Biol.Chem., 278, 2003
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1PQ6
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![BU of 1pq6 by Molmil](/molmil-images/mine/1pq6) | HUMAN LXR BETA HORMONE RECEPTOR / GW3965 COMPLEX | Descriptor: | ISOPROPYL ALCOHOL, Oxysterols receptor LXR-beta, [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid | Authors: | Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. | Deposit date: | 2003-06-18 | Release date: | 2003-09-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J.Biol.Chem., 278, 2003
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1PRG
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![BU of 1prg by Molmil](/molmil-images/mine/1prg) | |
5Z12
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![BU of 5z12 by Molmil](/molmil-images/mine/5z12) | A structure of FXR/RXR | Descriptor: | (9cis)-retinoic acid, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor, ... | Authors: | Lu, Y, Li, Y. | Deposit date: | 2017-12-23 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR J. Biol. Chem., 293, 2018
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6B0F
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![BU of 6b0f by Molmil](/molmil-images/mine/6b0f) | |
1RK3
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![BU of 1rk3 by Molmil](/molmil-images/mine/1rk3) | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 1,25-dihydroxyvitamin D3 and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, M Benning, M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | Deposit date: | 2003-11-20 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
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1RJK
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![BU of 1rjk by Molmil](/molmil-images/mine/1rjk) | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MD and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIO L, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | Deposit date: | 2003-11-19 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
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5Z6S
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![BU of 5z6s by Molmil](/molmil-images/mine/5z6s) | Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | Descriptor: | 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2018-01-25 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization. Bioorg. Med. Chem., 26, 2018
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5YXL
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![BU of 5yxl by Molmil](/molmil-images/mine/5yxl) | A ligand M binding to FXR | Descriptor: | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Yi, L, Yong, L. | Deposit date: | 2017-12-05 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | A ligand M binding to FXR To Be Published
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5ZA1
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![BU of 5za1 by Molmil](/molmil-images/mine/5za1) | Ligand complex of RORgt LBD | Descriptor: | 1,2-ETHANEDIOL, 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide, DIMETHYLFORMAMIDE, ... | Authors: | Yamamoto, S, Yamaguchi, H. | Deposit date: | 2018-02-06 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003. Bioorg. Med. Chem. Lett., 28, 2018
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5YXB
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![BU of 5yxb by Molmil](/molmil-images/mine/5yxb) | A ligand binding to FXR | Descriptor: | 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Yi, L, Yong, L. | Deposit date: | 2017-12-04 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A ligand binding to FXR To Be Published
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5Z5S
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![BU of 5z5s by Molmil](/molmil-images/mine/5z5s) | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | Descriptor: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2018-01-19 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification. Bioorg. Med. Chem., 26, 2018
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6B31
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![BU of 6b31 by Molmil](/molmil-images/mine/6b31) | Structure of RORgt in complex with a novel inverse agonist 2 | Descriptor: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-09-20 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist. Bioorg. Med. Chem., 26, 2018
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