4R6S
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![BU of 4r6s by Molmil](/molmil-images/mine/4r6s) | Crystal structure of PPARgammma in complex with SR1663 | Descriptor: | 4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Marciano, D.P, Griffin, P.R, Bruning, J.B. | Deposit date: | 2014-08-26 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Pharmacological repression of PPAR gamma promotes osteogenesis. Nat Commun, 6, 2015
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4CI4
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3OS9
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![BU of 3os9 by Molmil](/molmil-images/mine/3os9) | Estrogen Receptor | Descriptor: | 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | Authors: | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2010-09-08 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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6WOK
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![BU of 6wok by Molmil](/molmil-images/mine/6wok) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | Descriptor: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | Deposit date: | 2020-04-24 | Release date: | 2020-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. Acs Med.Chem.Lett., 11, 2020
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3IA6
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4ZNW
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![BU of 4znw by Molmil](/molmil-images/mine/4znw) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative | Descriptor: | 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4YPQ
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![BU of 4ypq by Molmil](/molmil-images/mine/4ypq) | Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid | Descriptor: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma | Authors: | Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L. | Deposit date: | 2015-03-13 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of an allosteric binding site for ROR gamma t inhibition. Nat Commun, 6, 2015
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6TLM
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![BU of 6tlm by Molmil](/molmil-images/mine/6tlm) | ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark) | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.321 Å) | Cite: | Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist. Chemmedchem, 15, 2020
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5TLV
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![BU of 5tlv by Molmil](/molmil-images/mine/5tlv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol) | Descriptor: | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol), 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 (2.323 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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6TDC
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3HM1
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![BU of 3hm1 by Molmil](/molmil-images/mine/3hm1) | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one) | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Liwanag, M, Joachimiak, A, Greene, G.L. | Deposit date: | 2009-05-28 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one) To be Published
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4FHH
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![BU of 4fhh by Molmil](/molmil-images/mine/4fhh) | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | Deposit date: | 2012-06-06 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
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2H77
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![BU of 2h77 by Molmil](/molmil-images/mine/2h77) | Crystal structure of human TR alpha bound T3 in monoclinic space group | Descriptor: | 3,5,3'TRIIODOTHYRONINE, THRA protein | Authors: | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I. | Deposit date: | 2006-06-01 | Release date: | 2006-07-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function. J.Mol.Biol., 360, 2006
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2ABI
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![BU of 2abi by Molmil](/molmil-images/mine/2abi) | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone | Descriptor: | DESOXYCORTICOSTERONE, Mineralocorticoid receptor | Authors: | Huyet, J, Pinon, G.-M, Rochel, M, Mayer, C, Rafestin-Oblin, M.-E, Fagart, J. | Deposit date: | 2005-07-15 | Release date: | 2006-07-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone To be published
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5VB7
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![BU of 5vb7 by Molmil](/molmil-images/mine/5vb7) | X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide | Descriptor: | N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.335 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
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5YD6
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![BU of 5yd6 by Molmil](/molmil-images/mine/5yd6) | Crystal structure of PG-bound Nurr1-LBD | Descriptor: | (~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid, MAGNESIUM ION, Nuclear receptor subfamily 4 group A member 2 | Authors: | Sreekanth, R, Yoon, H.S. | Deposit date: | 2017-09-11 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure of Nurr1 bound to cyclopentenone prostaglandin A2 and its mechanism of action in ameliorating dopaminergic neurodegeneration in Drosophila To Be Published
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5WR1
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![BU of 5wr1 by Molmil](/molmil-images/mine/5wr1) | Covalent bond formation of bifunctional ligand with hPPARg-LBD | Descriptor: | 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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2Z4B
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![BU of 2z4b by Molmil](/molmil-images/mine/2z4b) | Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta | Authors: | Wang, Y. | Deposit date: | 2007-06-14 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification. Bioorg.Med.Chem.Lett., 17, 2007
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2HWR
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![BU of 2hwr by Molmil](/molmil-images/mine/2hwr) | Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists | Descriptor: | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Peng, Y.H, Lu, I.L, Mahindroo, N, Lin, C.H, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2006-08-01 | Release date: | 2007-08-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists J.Med.Chem., 49, 2006
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1YA3
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![BU of 1ya3 by Molmil](/molmil-images/mine/1ya3) | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to progesterone and harboring the S810L mutation responsible for a severe form of hypertension | Descriptor: | Mineralocorticoid receptor, PROGESTERONE | Authors: | Fagart, J, Huyet, J, Pinon, G.M, Rochel, M, Mayer, C, Rafestin-Oblin, M.E. | Deposit date: | 2004-12-17 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of a mutant mineralocorticoid receptor responsible for hypertension Nat.Struct.Mol.Biol., 12, 2005
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3VT9
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![BU of 3vt9 by Molmil](/molmil-images/mine/3vt9) | Crystal structures of rat VDR-LBD with W282R mutation | Descriptor: | (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | Authors: | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | Deposit date: | 2012-05-19 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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7NKE
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![BU of 7nke by Molmil](/molmil-images/mine/7nke) | Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment | Descriptor: | 2,4-di~{tert}-butylphenol, FORMIC ACID, Nuclear receptor coactivator 2, ... | Authors: | Carivenc, C, Bourguet, W. | Deposit date: | 2021-02-17 | Release date: | 2022-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors. Endocrinology, 164, 2023
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7CXF
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2REW
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![BU of 2rew by Molmil](/molmil-images/mine/2rew) | Crystal Structure of PPARalpha ligand binding domain with BMS-631707 | Descriptor: | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, Peroxisome proliferator-activated receptor alpha | Authors: | Muckelbauer, J. | Deposit date: | 2007-09-27 | Release date: | 2007-11-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of Azetidinone Acids as Conformationally-Constrained Dual (alpha/gamma) PPAR Activators To be Published
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5IXK
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![BU of 5ixk by Molmil](/molmil-images/mine/5ixk) | RORgamma in complex with inverse agonist BIO399. | Descriptor: | N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma | Authors: | Marcotte, D.J. | Deposit date: | 2016-03-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand. Bmc Struct.Biol., 16, 2016
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