5MX7
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![BU of 5mx7 by Molmil](/molmil-images/mine/5mx7) | 1a,20S-dihydroxyvitamin D3 VDR complex | Descriptor: | 1a,20S-dihydroxyvitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-01-21 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | 1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis. Sci Rep, 7, 2017
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5JI0
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![BU of 5ji0 by Molmil](/molmil-images/mine/5ji0) | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid | Descriptor: | (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... | Authors: | Bloudoff, K, Larsen, N.A. | Deposit date: | 2016-04-21 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid To Be Published
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3NOA
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2O4R
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![BU of 2o4r by Molmil](/molmil-images/mine/2o4r) | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and the NR2 Box of DRIP 205 | Descriptor: | (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, DeLuca, H.F. | Deposit date: | 2006-12-04 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations. Arch.Biochem.Biophys., 460, 2007
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4IW6
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![BU of 4iw6 by Molmil](/molmil-images/mine/4iw6) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b | Descriptor: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4WQP
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5FQT
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![BU of 5fqt by Molmil](/molmil-images/mine/5fqt) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4. | Descriptor: | (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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6J3N
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![BU of 6j3n by Molmil](/molmil-images/mine/6j3n) | RORgammat LBD complexed with Ursonic Acid and SRC2.2 | Descriptor: | (5beta)-3-oxours-12-en-28-oic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Nuclear receptor ROR-gamma | Authors: | Liu, Z.H, Huang, J, Tang, Y. | Deposit date: | 2019-01-05 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of human RORgammat LBD with SCR2.2 at 1.99 Angstroms resolution To Be Published
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2ZFX
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![BU of 2zfx by Molmil](/molmil-images/mine/2zfx) | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR301 and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2008-01-15 | Release date: | 2009-01-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of the ligand-binding domain of rat VDR in complex with the nonsecosteroidal vitamin D3 analogue YR301 Acta Crystallogr.,Sect.F, 64, 2008
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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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6Q2W
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![BU of 6q2w by Molmil](/molmil-images/mine/6q2w) | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2018-12-03 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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5TM8
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![BU of 5tm8 by Molmil](/molmil-images/mine/5tm8) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid | Descriptor: | 7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, 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 (1.99 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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4RZF
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![BU of 4rzf by Molmil](/molmil-images/mine/4rzf) | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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2FVJ
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![BU of 2fvj by Molmil](/molmil-images/mine/2fvj) | A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M. | Deposit date: | 2006-01-31 | Release date: | 2006-05-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro Mol.Endocrinol., 20, 2006
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6W9H
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![BU of 6w9h by Molmil](/molmil-images/mine/6w9h) | SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS | Descriptor: | 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion | Authors: | Sack, J.S. | Deposit date: | 2020-03-23 | Release date: | 2020-04-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists. Bioorg.Med.Chem.Lett., 30, 2020
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3K6P
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![BU of 3k6p by Molmil](/molmil-images/mine/3k6p) | Estrogen Related Receptor alpha in Complex with an Ether Based Ligand | Descriptor: | 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile, Steroid hormone receptor ERR1 | Authors: | Abad, M.C, Patch, R.J. | Deposit date: | 2009-10-09 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents. To be Published
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6C42
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![BU of 6c42 by Molmil](/molmil-images/mine/6c42) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156 | Descriptor: | (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol, Estrogen receptor | Authors: | Fanning, S.W, Hodges-Gallager, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | Deposit date: | 2018-01-11 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity. Nat Commun, 9, 2018
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6QJ5
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![BU of 6qj5 by Molmil](/molmil-images/mine/6qj5) | X-ray structure of PPARgamma LBD with the ligand NV1380 | Descriptor: | (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Capelli, D. | Deposit date: | 2019-01-22 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities. J.Med.Chem., 63, 2020
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4OH5
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![BU of 4oh5 by Molmil](/molmil-images/mine/4oh5) | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ... | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-17 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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7OY4
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![BU of 7oy4 by Molmil](/molmil-images/mine/7oy4) | VDR complex of a side-chain hydroxylated derivatives of lithocholic acid | Descriptor: | (3S,6R)-6-[(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]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
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6LIT
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![BU of 6lit by Molmil](/molmil-images/mine/6lit) | Estrogen-related receptor beta(ERR2) in complex with BPA | Descriptor: | 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-13 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 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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2YFE
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7C7V
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![BU of 7c7v by Molmil](/molmil-images/mine/7c7v) | Vitamin D3 receptor/lithochoric acid derivative complex | 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, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
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4OKW
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![BU of 4okw by Molmil](/molmil-images/mine/4okw) | Crystal structure of W741L-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, R-BICALUTAMIDE, co-regulator peptide | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-23 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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6WMS
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![BU of 6wms by Molmil](/molmil-images/mine/6wms) | |