5XPO
 
 | | Crystal structure of VDR-LBD complexed with 25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | | 分子名称: | (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Kato, A, Itoh, T, Yamamoto, K. | | 登録日 | 2017-06-03 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
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6IJR
 | | Human PPARgamma ligand binding domain complexed with SB1495 | | 分子名称: | 16 mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Jang, J.Y, Han, B.W. | | 登録日 | 2018-10-11 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
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6I67
 | | Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol | | 分子名称: | 5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen-related receptor gamma, GLYCEROL | | 著者 | Delfosse, V, Blanc, P, Bourguet, W. | | 登録日 | 2018-11-15 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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6IJS
 | | Human PPARgamma ligand binding domain complexed with SB1494 | | 分子名称: | 16-mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Jang, J.Y, Han, B.W. | | 登録日 | 2018-10-11 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
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6I65
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5XPN
 | | Crystal structure of VDR-LBD complexed with 25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 | | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, ... | | 著者 | Kato, A, Itoh, T, Yamamoto, K. | | 登録日 | 2017-06-03 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
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5XPP
 | | Crystal structure of VDR-LBD complexed with 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3 | | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Kato, A, Itoh, T, Yamamoto, K. | | 登録日 | 2017-06-03 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
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6I63
 | | Crystal structure of human ERRg LBD in complex with bisphenol-A | | 分子名称: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma | | 著者 | Delfosse, V, Blanc, P, Bourguet, W. | | 登録日 | 2018-11-15 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.229 Å) | | 主引用文献 | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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5X8S
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Ursolic acid. | | 分子名称: | Nuclear receptor ROR-gamma, Ursolic acid | | 著者 | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | 登録日 | 2017-03-03 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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6IAR
 | | Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists | | 分子名称: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor | | 著者 | Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R. | | 登録日 | 2018-11-27 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists.
J.Med.Chem., 62, 2019
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5XPL
 | | Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | | 分子名称: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, Vitamin D3 receptor | | 著者 | Kato, A, Itoh, T, Yamamoto, K. | | 登録日 | 2017-06-03 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
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5XPM
 | | Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 | | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Kato, A, Itoh, T, Yamamoto, K. | | 登録日 | 2017-06-03 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
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6I61
 | | Crystal structure of human ERRg LBD in complex with bisphenol-B | | 分子名称: | 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ... | | 著者 | Delfosse, V, Blanc, P, Bourguet, W. | | 登録日 | 2018-11-15 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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7TT8
 | | Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | | 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), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | Cato, M.L, Ortlund, E.A. | | 登録日 | 2022-01-31 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
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5XZF
 | | Vitamin D receptor with a synthetic ligand ADRO1 | | 分子名称: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | | 著者 | Otero, R, Numoto, N, Ikura, T, Yamada, S, Mourino, A, Makishima, M, Ito, N. | | 登録日 | 2017-07-12 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 25 S-Adamantyl-23-yne-26,27-dinor-1 alpha ,25-dihydroxyvitamin D3: Synthesis, Tissue Selective Biological Activities, and X-ray Crystal Structural Analysis of Its Vitamin D Receptor Complex.
J. Med. Chem., 61, 2018
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5Y41
 | | Crystal Structure of LIGAND-BOUND NURR1-LBD | | 分子名称: | (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sreekanth, R, Lescar, J, Yoon, H.S. | | 登録日 | 2017-07-31 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | PGE1 and PGA1 bind to Nurr1 and activate its transcriptional function.
Nat.Chem.Biol., 2020
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5Y7X
 | | Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist | | 分子名称: | 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ... | | 著者 | Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H. | | 登録日 | 2017-08-18 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Design, synthesis, and the X-ray co-crystal structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor delta Agonists
To Be Published
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6ITM
 | | Crystal structure of FXR in complex with agonist XJ034 | | 分子名称: | 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1 | | 著者 | Zhang, H, Wang, Z. | | 登録日 | 2018-11-23 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
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5YCN
 | | Human PPARgamma ligand binding domain complexed with Lobeglitazone | | 分子名称: | (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Jang, J.Y, Han, B.W. | | 登録日 | 2017-09-07 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural Basis for the Enhanced Anti-Diabetic Efficacy of Lobeglitazone on PPAR gamma.
Sci Rep, 8, 2018
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5Y2T
 | | Structure of PPARgamma ligand binding domain - lobeglitazone complex | | 分子名称: | (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | 著者 | Im, Y.J, Lee, M. | | 登録日 | 2017-07-27 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
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7W0G
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | | 分子名称: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta | | 著者 | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | 登録日 | 2021-11-18 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.443 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
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5Y44
 | | A novel moderator XD4 for bile acid receptor | | 分子名称: | Bile acid receptor, Peptide from Nuclear receptor coactivator 1, SULFATE ION, ... | | 著者 | Lu, Y, Li, Y. | | 登録日 | 2017-08-01 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A novel moderator XD4 for bile acid receptor
To Be Published
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5YD6
 | | Crystal structure of PG-bound Nurr1-LBD | | 分子名称: | (~{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 | | 著者 | Sreekanth, R, Yoon, H.S. | | 登録日 | 2017-09-11 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | 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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6IZN
 | | Crystal structure of the PPARgamma-LBD complexed with compound 3g | | 分子名称: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2018-12-20 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
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5XZH
 | | Vitamin D receptor with a synthetic ligand ADRO2 | | 分子名称: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Otero, R, Numoto, N, Ikura, T, Yamada, S, Mourino, A, Makishima, M, Ito, N. | | 登録日 | 2017-07-12 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 25 S-Adamantyl-23-yne-26,27-dinor-1 alpha ,25-dihydroxyvitamin D3: Synthesis, Tissue Selective Biological Activities, and X-ray Crystal Structural Analysis of Its Vitamin D Receptor Complex.
J. Med. Chem., 61, 2018
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