7W3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w3p by Molmil](/molmil-images/mine/7w3p) | Crystal structure of RORgamma in complex with natural inverse agonist | 分子名称: | (3S,5R,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-3,12-diol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2 | 著者 | Tian, S.Y, Li, Y. | 登録日 | 2021-11-25 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of RORgamma in complex with natural inverse agonist To Be Published
|
|
7YMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ymk by Molmil](/molmil-images/mine/7ymk) | Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide | 分子名称: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | 著者 | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | 登録日 | 2022-07-28 | 公開日 | 2023-05-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer. Acta Pharm Sin B, 13, 2023
|
|
4K4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k4j by Molmil](/molmil-images/mine/4k4j) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1 | 分子名称: | (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | 登録日 | 2013-04-12 | 公開日 | 2013-11-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain. J.Biol.Chem., 289, 2014
|
|
4KZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kzi by Molmil](/molmil-images/mine/4kzi) | Crystal Structure of TR3 LBD in complex with DPDO | 分子名称: | 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | 登録日 | 2013-05-30 | 公開日 | 2013-12-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
|
|
7W0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w0g by Molmil](/molmil-images/mine/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
|
|
4L96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l96 by Molmil](/molmil-images/mine/4l96) | Structure of the complex between the F360L PPARgamma mutant and the ligand LT175 (space group I222) | 分子名称: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Pasquo, A, Lori, C, Laghezza, A, Loiodice, F. | 登録日 | 2013-06-18 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4LNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lnw by Molmil](/molmil-images/mine/4lnw) | Crystal structure of TR-alpha bound to T3 in a second site | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha | 著者 | Puhl, A.C, Aparicio, R, Polikarpov, I. | 登録日 | 2013-07-12 | 公開日 | 2014-03-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of a new hormone-binding site on the surface of thyroid hormone receptor. Mol.Endocrinol., 28, 2014
|
|
4LNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lnx by Molmil](/molmil-images/mine/4lnx) | Crystal structure of TR-alpha bound to T4 in a second site | 分子名称: | 3,5,3',5'-TETRAIODO-L-THYRONINE, 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha | 著者 | Puhl, A.C, Aparicio, R, Polikarpov, I. | 登録日 | 2013-07-12 | 公開日 | 2014-03-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Identification of a new hormone-binding site on the surface of thyroid hormone receptor. Mol.Endocrinol., 28, 2014
|
|
5YP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yp5 by Molmil](/molmil-images/mine/5yp5) | Crystal structure of RORgamma complexed with SRC2 and compound 5d | 分子名称: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | 著者 | Gao, M, Cai, W, Chunwa, C. | 登録日 | 2017-11-01 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists ACS Med Chem Lett, 9, 2018
|
|
7BQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bq0 by Molmil](/molmil-images/mine/7bq0) | X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | 分子名称: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | 登録日 | 2020-03-23 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.771 Å) | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
|
|
7BPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bpy by Molmil](/molmil-images/mine/7bpy) | X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | 分子名称: | 15-meric peptide from Nuclear receptor coactivator 1, 2-(4-chloranylphenoxy)-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | 登録日 | 2020-03-23 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
|
|
6CN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cn5 by Molmil](/molmil-images/mine/6cn5) | |
7BQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bq1 by Molmil](/molmil-images/mine/7bq1) | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization | 分子名称: | 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, PALMITIC ACID, ... | 著者 | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | 登録日 | 2020-03-23 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.521 Å) | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
|
|
5YXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yxj by Molmil](/molmil-images/mine/5yxj) | FXR ligand binding domain | 分子名称: | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Yi, L, Yong, L. | 登録日 | 2017-12-05 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | A ligand of drug binding to FXR To Be Published
|
|
6CN6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cn6 by Molmil](/molmil-images/mine/6cn6) | RORC2 LBD complexed with compound 34 | 分子名称: | 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma | 著者 | Kauppi, B, Vajdos, F. | 登録日 | 2018-03-07 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist. J. Med. Chem., 61, 2018
|
|
7BJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7BJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6D0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d0f by Molmil](/molmil-images/mine/6d0f) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide | 分子名称: | 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol, Estrogen receptor, GRIP Peptide | 著者 | Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L. | 登録日 | 2018-04-10 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide To Be Published
|
|
5YXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yxl by Molmil](/molmil-images/mine/5yxl) | A ligand M binding to FXR | 分子名称: | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Yi, L, Yong, L. | 登録日 | 2017-12-05 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | A ligand M binding to FXR To Be Published
|
|
5YXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yxb by Molmil](/molmil-images/mine/5yxb) | A ligand binding to FXR | 分子名称: | 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Yi, L, Yong, L. | 登録日 | 2017-12-04 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | A ligand binding to FXR To Be Published
|
|
5ZA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5za1 by Molmil](/molmil-images/mine/5za1) | Ligand complex of RORgt LBD | 分子名称: | 1,2-ETHANEDIOL, 2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide, DIMETHYLFORMAMIDE, ... | 著者 | Yamamoto, S, Yamaguchi, H. | 登録日 | 2018-02-06 | 公開日 | 2018-10-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003. Bioorg. Med. Chem. Lett., 28, 2018
|
|
5Z5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z5s by Molmil](/molmil-images/mine/5z5s) | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | 分子名称: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | 著者 | Matsui, Y, Hanzawa, H. | 登録日 | 2018-01-19 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification. Bioorg. Med. Chem., 26, 2018
|
|
7BNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bnu by Molmil](/molmil-images/mine/7bnu) | VDR complex with BXL-62 | 分子名称: | 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N, Belorusova, A.Y. | 登録日 | 2021-01-22 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants. Int J Mol Sci, 23, 2022
|
|
7BNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bns by Molmil](/molmil-images/mine/7bns) | VDR complex with BXL-62 | 分子名称: | 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N, Belorusova, A.Y. | 登録日 | 2021-01-22 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants. Int J Mol Sci, 23, 2022
|
|
6D8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d8x by Molmil](/molmil-images/mine/6d8x) | PPAR gamma LBD complexed with the agonist GW1929 | 分子名称: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CITRATE ANION, GLYCEROL, ... | 著者 | Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R. | 登録日 | 2018-04-27 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | PPAR gamma LBD complexed with the agonist GW1929 To Be Published
|
|