7W3P
 
 | | Crystal structure of RORgamma in complex with natural inverse agonist | | Descriptor: | (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2 | | Authors: | Tian, S.Y, Li, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of RORgamma in complex with natural inverse agonist
To Be Published
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4K4J
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
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4K6I
 | | Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with Targretin and the coactivator peptide GRIP-1 | | Descriptor: | 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2013-04-15 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
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4M8H
 | | CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1 | | Descriptor: | (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2013-08-13 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Bioorg.Med.Chem., 22, 2014
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4M8E
 | | CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1 | | Descriptor: | (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2013-08-13 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Bioorg.Med.Chem., 22, 2014
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4PLD
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4Q0A
 | | Vitamin D Receptor complex with lithocholic acid | | Descriptor: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Belorusova, A, Rochel, N. | | Deposit date: | 2014-04-01 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the molecular mechanism of vitamin d receptor activation by lithocholic Acid involving a new mode of ligand recognition.
J.Med.Chem., 57, 2014
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4QE8
 | | FXR with DM175 and NCoA-2 peptide | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | | Deposit date: | 2014-05-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | FXR with DM175 and NCoA-2 peptide
To be Published
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4OC7
 | | Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2 | | Descriptor: | (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C. | | Deposit date: | 2014-01-08 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4POJ
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2014-02-25 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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4PLE
 | | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | | Authors: | Ortlund, E.A, Musille, P.M. | | Deposit date: | 2014-05-16 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity.
J.Biol.Chem., 291, 2016
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4PP5
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2014-02-26 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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4POH
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2014-02-25 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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4PP3
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | | Deposit date: | 2014-02-26 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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4RFW
 | | Crystal structure of human retinoid X Receptor alpha-ligand binding domain complex with 9cUAB70 and the coactivator peptide GRIP-1 | | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Xia, G, Muccio, D.D, Smith, C.D. | | Deposit date: | 2014-09-28 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
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5WZX
 | | Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR | | Descriptor: | (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (R,R)-2,3-BUTANEDIOL, Bile acid receptor, ... | | Authors: | Lu, Y, Li, Y. | | Deposit date: | 2017-01-19 | | Release date: | 2018-01-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity
Mol. Pharmacol., 93, 2018
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4NQA
 | | Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA | | Descriptor: | (9cis)-retinoic acid, 5'-D(*TP*AP*AP*GP*GP*TP*CP*AP*CP*TP*TP*CP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*AP*TP*GP*AP*CP*CP*TP*GP*AP*AP*GP*TP*GP*AP*CP*CP*T)-3', ... | | Authors: | Lou, X.H, Toresson, G, Benod, C, Suh, J.H, Phillips, K.J, Webb, P, Gustafsson, J.A. | | Deposit date: | 2013-11-24 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structure of the retinoid X receptor alpha-liver X receptor beta (RXR alpha-LXR beta ) heterodimer on DNA.
Nat.Struct.Mol.Biol., 21, 2014
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7T2X
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate | | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W. | | Deposit date: | 2021-12-06 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
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1T65
 | | Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2 | | Authors: | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K. | | Deposit date: | 2004-05-05 | | Release date: | 2005-01-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
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6EL7
 | | Glucocorticoid Receptor in complex with compound 31 | | Descriptor: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
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7JHD
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide | | Descriptor: | 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L. | | Deposit date: | 2020-07-20 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer.
Mol.Cancer Ther., 20, 2021
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1T63
 | | Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3 | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2 | | Authors: | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K. | | Deposit date: | 2004-05-05 | | Release date: | 2005-01-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
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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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8VKZ
 | | Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | | Descriptor: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 | | Authors: | Judge, R.A, Hobson, A.D. | | Deposit date: | 2024-01-10 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.133 Å) | | Cite: | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties.
Rsc Med Chem, 15, 2024
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2G5O
 | | Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide | | Descriptor: | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | Deposit date: | 2006-02-23 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
To be Published
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