6E3E
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![BU of 6e3e by Molmil](/molmil-images/mine/6e3e) | Structure of RORgt in complex with a novel inverse agonist. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ... | 著者 | Skene, R.J, Hoffman, I. | 登録日 | 2018-07-13 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist. J.Med.Chem., 62, 2019
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6E3G
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![BU of 6e3g by Molmil](/molmil-images/mine/6e3g) | Structure of RORgt in complex with a novel agonist. | 分子名称: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ... | 著者 | Skene, R.J, Hoffman, I. | 登録日 | 2018-07-13 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist. J.Med.Chem., 62, 2019
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7RKE
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![BU of 7rke by Molmil](/molmil-images/mine/7rke) | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide | 分子名称: | 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | 登録日 | 2021-07-22 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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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6ENQ
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![BU of 6enq by Molmil](/molmil-images/mine/6enq) | Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337) | 分子名称: | 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Boubia, B, Poupardin, O, Barth, M, Amaudrut, J, Broqua, P, Tallandier, M, Zeyer, D. | 登録日 | 2017-10-06 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR) alpha / gamma / delta Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate. J. Med. Chem., 61, 2018
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6EL6
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![BU of 6el6 by Molmil](/molmil-images/mine/6el6) | Glucocorticoid Receptor in complex with compound 4 | 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 (2.4 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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7R62
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![BU of 7r62 by Molmil](/molmil-images/mine/7r62) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative | 分子名称: | 11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide, Estrogen receptor | 著者 | Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza Sanchez, R, Marinier, A, Gleason, J, Greene, G.L, Mader, S.C, Fanning, S.W. | 登録日 | 2021-06-22 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative To Be Published
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6EL9
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![BU of 6el9 by Molmil](/molmil-images/mine/6el9) | Glucocorticoid Receptor in complex with AZD9567 | 分子名称: | 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide, Glucocorticoid receptor, ... | 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 (2.19 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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7EFQ
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![BU of 7efq by Molmil](/molmil-images/mine/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
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7RNM
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![BU of 7rnm by Molmil](/molmil-images/mine/7rnm) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)isoindolin-5-ol and GRIP Peptide | 分子名称: | 2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | 登録日 | 2021-07-29 | 公開日 | 2022-08-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines Helv.Chim.Acta, 106, 2023
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7RLE
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7E2E
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![BU of 7e2e by Molmil](/molmil-images/mine/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
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7BJV
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![BU of 7bjv by Molmil](/molmil-images/mine/7bjv) | Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI09181 | 分子名称: | DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... | 著者 | Browning, C, McEwen, A.G, Billas, I.M.L. | 登録日 | 2021-01-14 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP. J Pestic Sci, 46, 2021
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7BJU
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![BU of 7bju by Molmil](/molmil-images/mine/7bju) | Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI08346 | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, ... | 著者 | Browning, C, McEwen, A.G, Billas, I.M.L. | 登録日 | 2021-01-14 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP. J Pestic Sci, 46, 2021
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6EL7
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![BU of 6el7 by Molmil](/molmil-images/mine/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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6EU9
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![BU of 6eu9 by Molmil](/molmil-images/mine/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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6ESN
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![BU of 6esn by Molmil](/molmil-images/mine/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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7E0A
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![BU of 7e0a by Molmil](/molmil-images/mine/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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7E5F
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![BU of 7e5f by Molmil](/molmil-images/mine/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
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![BU of 7e5g by Molmil](/molmil-images/mine/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
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![BU of 7e5i by Molmil](/molmil-images/mine/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
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![BU of 7e5h by Molmil](/molmil-images/mine/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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7PDQ
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![BU of 7pdq by Molmil](/molmil-images/mine/7pdq) | Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment | 分子名称: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | le Maire, A, Bourguet, W, Guee, L. | 登録日 | 2021-08-06 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
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7PDT
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![BU of 7pdt by Molmil](/molmil-images/mine/7pdt) | Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment | 分子名称: | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | le Maire, A, Bourguet, W, Guee, L. | 登録日 | 2021-08-07 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
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6DGR
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![BU of 6dgr by Molmil](/molmil-images/mine/6dgr) | |
6DGP
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![BU of 6dgp by Molmil](/molmil-images/mine/6dgp) | |