8CCT
 
 | | Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | | 分子名称: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | | 登録日 | 2023-01-27 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A
To Be Published
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8WUY
 | | Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | | 分子名称: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | | 著者 | Hong, W.B, Chen, X.Q, Lin, T.W. | | 登録日 | 2023-10-21 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
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8DAF
 | | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | | 分子名称: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | | 著者 | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | | 登録日 | 2022-06-13 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
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5GT4
 | | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol | | 分子名称: | 4-{[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile, Vitamin D3 receptor | | 著者 | Takimoto-Kamimura, M. | | 登録日 | 2016-08-18 | | 公開日 | 2016-11-09 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol
To Be Published
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5GTN
 | | Human PPARgamma ligand binding dmain complexed with R35 | | 分子名称: | 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Jang, J.Y, Suh, S.W. | | 登録日 | 2016-08-22 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
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5GTR
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5H1E
 | | Interaction between vitamin D receptor and coactivator peptide SRC2-3 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor | | 著者 | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | | 登録日 | 2016-10-08 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
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5G5W
 | | Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators | | 分子名称: | 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ... | | 著者 | Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T. | | 登録日 | 2016-06-08 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
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5G3J
 | | Discovery of New Selective Glucocorticoid Receptor Agonist Leads | | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ... | | 著者 | Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S. | | 登録日 | 2016-04-27 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of New Selective Glucocorticoid Receptor Agonist Leads.
Bioorg.Med.Chem.Lett., 27, 2017
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5G44
 | | Ligand complex of RORg LBD | | 分子名称: | (4-pyrimidin-5-ylphenyl)methanol, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, ... | | 著者 | Xue, Y, Guo, H, Hillertz, P. | | 登録日 | 2016-05-04 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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5G46
 | | Ligand complex of RORg LBD | | 分子名称: | 2-ETHYL-4(1H)-QUINOLINONE, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ... | | 著者 | Xue, Y, Guo, H, Hillertz, P. | | 登録日 | 2016-05-04 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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5G45
 | | Ligand complex of RORg LBD | | 分子名称: | 8-AMINO-3-QUINOLINOL, DIMETHYL SULFOXIDE, NUCLEAR RECEPTOR ROR-GAMMA, ... | | 著者 | Xue, Y, Guo, H, Hillertz, P. | | 登録日 | 2016-05-04 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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8D8I
 | | Crystal structure of Reverb alpha in complex with synthetic agonist | | 分子名称: | (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine, Nuclear receptor corepressor 1, Nuclear receptor subfamily 1 group D member 1 | | 著者 | Ronin, C, Ciesielski, F, Hegazy, L, Burris, P.T. | | 登録日 | 2022-06-08 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | | 主引用文献 | Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB.
Nat Commun, 13, 2022
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5HYR
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-SP2 and Estradiol | | 分子名称: | ESTRADIOL, Estrogen receptor, GLYCEROL, ... | | 著者 | Fanning, S.W, Speltz, T.E, Mayne, C.G, Tajkhorshid, E, Greene, G.L, Moore, T.W. | | 登録日 | 2016-02-01 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.271 Å) | | 主引用文献 | Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5HZC
 | | Crystal structure of the complex PPARgamma/AL26-29 | | 分子名称: | 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A. | | 登録日 | 2016-02-02 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
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5HYK
 | | Crystal structure of the complex PPARalpha/AL26-29 | | 分子名称: | 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor alpha | | 著者 | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A. | | 登録日 | 2016-02-01 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
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8CYO
 | | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond | | 分子名称: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide, CHLORIDE ION, Nuclear receptor subfamily 4 group A member 2 | | 著者 | Bruning, J.M, Liu, J, England, P.M. | | 登録日 | 2022-05-24 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond
To Be Published
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8DKN
 | | PPARg bound to T0070907 and Co-R peptide | | 分子名称: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ... | | 著者 | Larsen, N.A, Tsai, J. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DSZ
 | | PPARg bound to partial agonist H3B-487 | | 分子名称: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-24 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DKV
 | | PPARg bound to JTP-426467 and Co-R peptide | | 分子名称: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ... | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-06 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DSY
 | | PPARg bound to inverse agonist H3B-343 | | 分子名称: | Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-24 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8E1A
 | | Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | | 著者 | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | | 登録日 | 2022-08-10 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
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8ZFN
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5IAW
 | | Novel natural FXR modulator with a unique binding mode | | 分子名称: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | | 著者 | Lu, Y, Li, Y. | | 登録日 | 2016-02-22 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
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8ZFS
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