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 | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, PALMITIC ACID, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7BPY
| X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-(4-chloranylphenoxy)-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7BQ2
| X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7B9O
| Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor | Descriptor: | 3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Ni, X, Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-14 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics. J.Med.Chem., 64, 2021
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7BJU
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI08346 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, ... | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | Deposit date: | 2021-01-14 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 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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7BJV
| Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI09181 | Descriptor: | DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | Deposit date: | 2021-01-14 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | 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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8CK5
| VDR LBD complex with 25-nitro derivative of 1,25D3 | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-nitro-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | Authors: | Rochel, N. | Deposit date: | 2023-02-14 | Release date: | 2023-04-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs. Bioorg.Chem., 136, 2023
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8CKC
| Vitamin D receptor complex with 25-amine derivative of 1,25D3 | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | Authors: | Rochel, N. | Deposit date: | 2023-02-15 | Release date: | 2023-04-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs. Bioorg.Chem., 136, 2023
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2J7X
| STRUCTURE OF ESTRADIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5 | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, ESTRADIOL, ... | Authors: | Pike, A.C.W, Brzozowski, A.M, Hubbard, R.E, Walton, J, Bonn, T, Thorsell, A.-G, Engstrom, O, Ljunggren, J, Gustaffson, J.-A, Carlquist, M. | Deposit date: | 2006-10-17 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Agonist-Bound Estrogen Receptor Beta Lbd in Complex with Lxxll Motif from Ncoa5 To be Published
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2J4A
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8CPH
| Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form) | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8CPJ
| Crystal structure of PPAR gamma (PPARG) in an inactive form | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8CPI
| Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8CCT
| Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | Descriptor: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | Authors: | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A To Be Published
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2JJ3
| Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, ESTROGEN RECEPTOR BETA | Authors: | Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S, Reilly, J.E, Ryter, K.T. | Deposit date: | 2007-07-03 | Release date: | 2007-08-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Benzopyrans as Selective Estrogen Receptor Beta Agonists (Serbas). Part 4: Functionalization of the Benzopyran A-Ring. Bioorg.Med.Chem.Lett., 17, 2007
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8CF9
| Crystal structure of the human PXR ligand-binding domain in complex with sclareol | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol | Authors: | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | Deposit date: | 2023-02-03 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the human PXR ligand-binding domain in complex with sclareol To Be Published
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8CH8
| Crystal structure of the human PXR ligand-binding domain in complex with liranaftate | Descriptor: | Nuclear receptor subfamily 1 group I member 2, ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | Authors: | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | Deposit date: | 2023-02-07 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the human PXR ligand-binding domain in complex with liranaftate To Be Published
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8DAF
| Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | Authors: | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | Deposit date: | 2022-06-13 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators. J.Biol.Chem., 299, 2023
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8DK4
| Peroxisome proliferator-activated receptor gamma in complex with VSP-51-2 | Descriptor: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Ma, L, Zhou, X.E, Suino-Powell, K, Hou, N, Zhou, Z, Luo, J, Xu, H.E, Yi, W. | Deposit date: | 2022-07-02 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of VSP-51-2 as the Novel and Safe PPAR gamma Modulator: Structure-Based Design, Biological Validation and Crystal Analysis To Be Published
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2JFA
| ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH AN AFFINITY-SELECTED COREPRESSOR PEPTIDE | Descriptor: | COREPRESSOR PEPTIDE, ESTROGEN RECEPTOR, RALOXIFENE, ... | Authors: | Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W. | Deposit date: | 2007-01-29 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors. J.Biol.Chem., 282, 2007
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8DKN
| PPARg bound to T0070907 and Co-R peptide | Descriptor: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ... | Authors: | Larsen, N.A, Tsai, J. | Deposit date: | 2022-07-05 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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8DKV
| PPARg bound to JTP-426467 and Co-R peptide | Descriptor: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ... | Authors: | Larsen, N.A. | Deposit date: | 2022-07-06 | Release date: | 2022-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists. J.Biol.Chem., 298, 2022
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2JF9
| ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYTAMOXIFEN, AB5 PEPTIDE, ... | Authors: | Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W. | Deposit date: | 2007-01-29 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors. J.Biol.Chem., 282, 2007
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8D8I
| Crystal structure of Reverb alpha in complex with synthetic agonist | Descriptor: | (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine, Nuclear receptor corepressor 1, Nuclear receptor subfamily 1 group D member 1 | Authors: | Ronin, C, Ciesielski, F, Hegazy, L, Burris, P.T. | Deposit date: | 2022-06-08 | Release date: | 2022-12-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB. Nat Commun, 13, 2022
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8CYO
| Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond | Descriptor: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide, CHLORIDE ION, Nuclear receptor subfamily 4 group A member 2 | Authors: | Bruning, J.M, Liu, J, England, P.M. | Deposit date: | 2022-05-24 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond To Be Published
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