6ZLY
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6T4J
| ROR(gamma)t ligand binding domain in complex with desmosterol and 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, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
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9EZ2
| Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | Descriptor: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2024-04-10 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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3KMR
| Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | Authors: | Bourguet, W, Teyssier, C. | Deposit date: | 2009-11-11 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor. Nat.Struct.Mol.Biol., 17, 2010
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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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4MGA
| Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol | Descriptor: | 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1 | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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1Z95
| Crystal Structure of the Androgen Receptor Ligand-binding Domain W741L Mutant Complex with R-bicalutamide | Descriptor: | Androgen Receptor, R-BICALUTAMIDE, SULFATE ION | Authors: | Bohl, C.E, Gao, W, Miller, D.D, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-03-31 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for antagonism and resistance of bicalutamide in prostate cancer. Proc.Natl.Acad.Sci.Usa, 102, 2005
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5WGD
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-LP1 | Descriptor: | (ACE)AILHKLLQDS(NH2), (ACE)HKILHKLLQDS(NH2), ESTRADIOL, ... | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W. | Deposit date: | 2017-07-14 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A "cross-stitched" peptide with improved helicity and proteolytic stability. Org. Biomol. Chem., 16, 2018
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2W8Y
| RU486 bound to the progesterone receptor in a destabilized agonistic conformation | Descriptor: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | Authors: | Raaijmakers, H.C.A, Versteeg, J, Uitdehaag, J.C.M. | Deposit date: | 2009-01-20 | Release date: | 2009-04-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The X-Ray Structure of Ru486 Bound to the Progesterone Receptor in a Destabilized Agonistic Conformation. J.Biol.Chem., 284, 2009
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5Q0K
| Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 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: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 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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5Q0P
| Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}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: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 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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6K5O
| Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists | Descriptor: | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Masuno, H, Kagechika, H, Ito, N. | Deposit date: | 2019-05-29 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel lithocholic acid derivatives as vitamin D receptor agonists. Bioorg.Med.Chem., 27, 2019
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2P1T
| Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | Descriptor: | (2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha | Authors: | Bourguet, W, Nahoum, V. | Deposit date: | 2007-03-06 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function. Proc.Natl.Acad.Sci.Usa, 104, 2007
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8FHE
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8FHG
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2AXA
| Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With S-1 | Descriptor: | Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | Authors: | Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem., 280, 2005
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6ONI
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2OZ7
| Crystal structure of the human androgen receptor T877A mutant ligand-binding domain with cyproterone acetate | Descriptor: | Androgen receptor, CYPROTERONE ACETATE | Authors: | Bohl, C.E, Wu, Z, Miller, D.D, Bell, C.E, Dalton, J.T. | Deposit date: | 2007-02-25 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the T877A human androgen receptor ligand-binding domain complexed to cyproterone acetate provides insight for ligand-induced conformational changes and structure-based drug design. J.Biol.Chem., 282, 2007
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5U3W
| Human PPARdelta ligand-binding domain in complexed with specific agonist 7 | Descriptor: | 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4ONI
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2J7Y
| STRUCTURE OF 17-EPIESTRIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5 | Descriptor: | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 1,2-ETHANEDIOL, BICARBONATE ION, ... | Authors: | Pike, A.C.W, Brzozowski, A.M, Hubbard, R.E, Walton, J, Bonn, T, Thorsell, A.-G, Engstrom, O, Ljunggren, J, Gustaffson, J.-A, Carlquist, M. | Deposit date: | 2006-10-17 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Agonist-Bound Estrogen Receptor Beta Lbd in Complex with Lxxll Motif from Ncoa5 To be Published
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2B1V
| Human estrogen receptor alpha ligand-binding domain in complex with OBCP-1M and a glucocorticoid receptor interacting protein 1 NR box II peptide | Descriptor: | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | Deposit date: | 2005-09-16 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity. J.Biol.Chem., 281, 2006
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1QKM
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4G2I
| Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-12 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 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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6L6K
| Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 | Descriptor: | 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ... | Authors: | Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N. | Deposit date: | 2019-10-29 | Release date: | 2020-11-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 To Be Published
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