6EL7
| Glucocorticoid Receptor in complex with compound 31 | 分子名称: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | 著者 | Edman, K, Wissler, L. | 登録日 | 2017-09-28 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile. J. Med. Chem., 61, 2018
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7E0A
| X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization | 分子名称: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Isoform 2 of Peroxisome proliferator-activated receptor gamma | 著者 | Kamata, S, Honda, A, Uchii, K, Machida, Y, Oyama, T, Ishii, I. | 登録日 | 2021-01-27 | 公開日 | 2021-09-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.771 Å) | 主引用文献 | Structural Basis for Anti-non-alcoholic Fatty Liver Disease and Diabetic Dyslipidemia Drug Saroglitazar as a PPAR alpha / gamma Dual Agonist. Biol.Pharm.Bull., 44, 2021
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6B31
| Structure of RORgt in complex with a novel inverse agonist 2 | 分子名称: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | 著者 | Skene, R.J, Hoffman, I. | 登録日 | 2017-09-20 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist. Bioorg. Med. Chem., 26, 2018
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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
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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
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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
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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
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6F2L
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6EU9
| Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid | 分子名称: | RETINOIC ACID, Retinoic acid receptor | 著者 | Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M. | 登録日 | 2017-10-29 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation. Sci Adv, 4, 2018
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6C1I
| Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 | 分子名称: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid | 著者 | Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J. | 登録日 | 2018-01-04 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma. Nat Commun, 9, 2018
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6ESN
| Ligand complex of RORg LBD | 分子名称: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | 著者 | Xue, Y, Aagaard, A, Narjes, F. | 登録日 | 2017-10-23 | 公開日 | 2018-08-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.84 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
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5ZWE
| Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a vinyl ketone group via conjugate addition reaction | 分子名称: | (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | 著者 | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | 登録日 | 2018-05-15 | 公開日 | 2018-07-18 | 最終更新日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands J. Med. Chem., 61, 2018
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6A22
| Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T. | 分子名称: | 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | 著者 | Noguchi, M, Nomura, A, Doi, S, Yamaguchi, K, Adachi, T. | 登録日 | 2018-06-08 | 公開日 | 2018-12-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Ternary crystal structure of human ROR gamma ligand-binding-domain, an inhibitor and corepressor peptide provides a new insight into corepressor interaction Sci Rep, 8, 2018
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7E2O
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6BR3
| Structure of RORgt in complex with a novel inverse agonist TAK-828. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | 著者 | Skene, R.J, Hoffman, I. | 登録日 | 2017-11-29 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
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6FGQ
| Ligand complex of RORg LBD | 分子名称: | Nuclear receptor ROR-gamma, methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate | 著者 | Xue, Y, Aagaard, A, Narjes, F. | 登録日 | 2018-01-11 | 公開日 | 2018-08-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.37 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
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7D42
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6C5Q
| PPARg LBD bound to SR10171 | 分子名称: | 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Bruning, J.B, Frkic, R.L. | 登録日 | 2018-01-16 | 公開日 | 2018-08-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | 主引用文献 | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
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6C5T
| PPARg LBD bound to SR11023 | 分子名称: | 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Bruning, J.B, Frkic, R.L, Griffin, P.R. | 登録日 | 2018-01-16 | 公開日 | 2018-08-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
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6FO9
| Vitamin D nuclear receptor complex 2 | 分子名称: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2018-02-06 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists. J. Med. Chem., 61, 2018
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6FOD
| Vitamin D nuclear receptor complex 1 | 分子名称: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2018-02-07 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists. J. Med. Chem., 61, 2018
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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
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3NSQ
| Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron | 分子名称: | 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha | 著者 | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | 登録日 | 2010-07-02 | 公開日 | 2010-11-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor. J.Biol.Chem., 286, 2011
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4YT1
| Human PPAR Gamma Ligand Binding Domain in complex with a Gammma Selective Synthetic Partial Agonist MEKT76 | 分子名称: | N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma | 著者 | Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M. | 登録日 | 2015-03-17 | 公開日 | 2016-03-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Peroxisome proliferator-activated receptor gamma (PPAR gamma ) has multiple binding points that accommodate ligands in various conformations: Structurally similar PPAR gamma partial agonists bind to PPAR gamma LBD in different conformations Bioorg.Med.Chem.Lett., 25, 2015
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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 | 分子名称: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma | 著者 | Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L. | 登録日 | 2015-03-13 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identification of an allosteric binding site for ROR gamma t inhibition. Nat Commun, 6, 2015
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