7E5F
| HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH TIPP703 OBTAINED BY SOAKING | 分子名称: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Oyama, T, Kamata, S, Ishii, I, Miyachi, H. | 登録日 | 2021-02-18 | 公開日 | 2021-10-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR) alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol.Pharm.Bull., 44, 2021
|
|
7E5H
| HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH APHM6 OBTAINED BY COCRYSTALLIZATION | 分子名称: | (2S)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Oyama, T, Kamata, S, Ishii, I, Miyachi, H. | 登録日 | 2021-02-18 | 公開日 | 2021-10-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR) alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol.Pharm.Bull., 44, 2021
|
|
5NI5
| Ligand complex of RORg LBD | 分子名称: | Nuclear receptor ROR-gamma, SODIUM ION, tethered SRC2-2 peptide, ... | 著者 | Xue, Y, Aagaard, A, Narjes, F. | 登録日 | 2017-03-23 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
|
|
5NI8
| Ligand complex of RORg LBD | 分子名称: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide, Nuclear receptor ROR-gamma, SODIUM ION, ... | 著者 | Xue, Y, Aagaard, A, Narjes, F. | 登録日 | 2017-03-23 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
|
|
7E5I
| HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH APHM6 OBTAINED BY SOAKING | 分子名称: | (2S)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Oyama, T, Kamata, S, Ishii, I, Miyachi, H. | 登録日 | 2021-02-18 | 公開日 | 2021-10-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR) alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol.Pharm.Bull., 44, 2021
|
|
7E5G
| HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH YN4pai OBTAINED BY SOAKING | 分子名称: | (2S)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Oyama, T, Kamata, S, Ishii, I, Miyachi, H. | 登録日 | 2021-02-18 | 公開日 | 2021-10-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR) alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol.Pharm.Bull., 44, 2021
|
|
5NTP
| |
5NTQ
| |
5NTK
| Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds | 分子名称: | Nuclear receptor ROR-gamma, [(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate | 著者 | Kallen, J. | 登録日 | 2017-04-28 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
|
|
3RUU
| FXR with SRC1 and GSK237 | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2011-05-05 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene. Bioorg.Med.Chem.Lett., 21, 2011
|
|
5NTI
| |
3RUT
| FXR with SRC1 and GSK359 | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2011-05-05 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3S9S
| |
7EFQ
| Crystal structure of hPPARgamma ligand binding domain complexed with rosiglitazone-based fluorescence probe | 分子名称: | (5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | 著者 | Yoshikawa, C, Ishida, H, Ohashi, N, Itoh, T. | 登録日 | 2021-03-23 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis of a Coumarin-Based PPAR gamma Fluorescence Probe for Competitive Binding Assay. Int J Mol Sci, 22, 2021
|
|
5NTN
| Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds | 分子名称: | (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 | 著者 | Kallen, J. | 登録日 | 2017-04-28 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
|
|
7E3M
| RORgamma LBD complexed with Panaxatriol and SRC2.2 | 分子名称: | (3R,5R,6S,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-3,6,12-triol, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Nuclear receptor ROR-gamma | 著者 | Liu, Z.H, Huang, J, Lu, W.Q, Tang, Y, Wu, Z.R. | 登録日 | 2021-02-09 | 公開日 | 2022-03-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of human RORgammat LBD with SRC2.2 at 2.80 Angstroms resolution To Be Published
|
|
3PO9
| |
7E2E
| Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide | 分子名称: | 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone, IODIDE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | 著者 | Ito, S, Shinozuka, T, Kimura, T, Izumi, M, Wakabayashi, K. | 登録日 | 2021-02-05 | 公開日 | 2021-06-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of a Novel Class of ERR alpha Agonists. Acs Med.Chem.Lett., 12, 2021
|
|
3RVF
| FXR with SRC1 and GSK2034 | 分子名称: | 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2011-05-06 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene. Bioorg.Med.Chem.Lett., 21, 2011
|
|
5NTW
| |
7E2O
| |
5LWP
| Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists | 分子名称: | 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma | 著者 | Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F. | 登録日 | 2016-09-19 | 公開日 | 2016-11-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 26, 2016
|
|
5MKJ
| Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 9 and a fragment of the TIF2 co-activator. | 分子名称: | (~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | 著者 | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | 登録日 | 2016-12-05 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
|
|
5NU1
| |
3R8D
| |