1BSX
| STRUCTURE AND SPECIFICITY OF NUCLEAR RECEPTOR-COACTIVATOR INTERACTIONS | Descriptor: | 3,5,3'TRIIODOTHYRONINE, PROTEIN (GRIP1), PROTEIN (THYROID HORMONE RECEPTOR BETA) | Authors: | Wagner, R.L, Darimont, B.D, Apriletti, J.W, Stallcup, M.R, Kushner, P.J, Baxter, J.D, Fletterick, R.J, Yamamoto, K.R. | Deposit date: | 1998-08-31 | Release date: | 1999-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure and specificity of nuclear receptor-coactivator interactions. Genes Dev., 12, 1998
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1A52
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1A28
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8XU5
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8WUY
| Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | Descriptor: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | Authors: | Hong, W.B, Chen, X.Q, Lin, T.W. | Deposit date: | 2023-10-21 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene. Bioorg.Chem., 144, 2024
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8WFE
| The Crystal Structure of PPARg from Biortus. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, F, Cheng, W, Lv, Z, Guo, S, Lin, D. | Deposit date: | 2023-09-19 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of PPARg from Biortus. To Be Published
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8VKZ
| Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | Descriptor: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 | Authors: | Judge, R.A, Hobson, A.D. | Deposit date: | 2024-01-10 | Release date: | 2024-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.133 Å) | Cite: | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties Rsc Med Chem, 15, 2024
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8SZV
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | Deposit date: | 2023-05-30 | Release date: | 2023-10-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31, 2023
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4WHG
| Crystal Structure of TR3 LBD in complex with Molecule 3 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4WHF
| Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one | Descriptor: | 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4WLB
| Crystal structure of RORc in complex with a partial inverse agonist compound | Descriptor: | L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... | Authors: | Boenig, G, Hymowitz, S.G, Kiefer, J.R. | Deposit date: | 2014-10-07 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A reversed sulfonamide series of selective RORc inverse agonists. Bioorg.Med.Chem.Lett., 24, 2014
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4WPF
| Crystal structure of RORc in complex with a phenyl sulfonamide agonist | Descriptor: | N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS | Authors: | Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G. | Deposit date: | 2014-10-18 | Release date: | 2015-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. Acs Med.Chem.Lett., 6, 2015
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4X1G
| Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... | Authors: | Delfosse, V, Huet, T, Bourguet, W. | Deposit date: | 2014-11-24 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds. Nat Commun, 6, 2015
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4RWV
| Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution | Descriptor: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology, Partnership for Stem Cell Biology (STEMCELL) | Deposit date: | 2014-12-05 | Release date: | 2015-01-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.859 Å) | Cite: | Crystal structure of a Homo sapiens hepatocytic transcription factor hB1F-2 (B1F2) in complex with nuclear receptor subfamily 0 group B member 1 (NR0B1, residues 140-154) from human at 1.86 A resolution To be published
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8HUO
| X-ray structure of human PPAR delta ligand binding domain-seladelpar co-crystals obtained by co-crystallization | Descriptor: | Peroxisome proliferator-activated receptor delta, Seladelpar | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.671 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUM
| X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUP
| X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma, Seladelpar | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUL
| X-ray structure of human PPAR delta ligand binding domain-lanifibranor co-crystals obtained by co-crystallization | Descriptor: | 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.461 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUK
| X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.981 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUN
| X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding | Descriptor: | GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUQ
| X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HHQ
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8HHP
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8IQN
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3 | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor | Authors: | Kakuda, S. | Deposit date: | 2023-03-17 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.639 Å) | Cite: | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3 To Be Published
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8IQT
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3 | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor | Authors: | Kakuda, S. | Deposit date: | 2023-03-17 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3 To Be Published
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