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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8FHF
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8FHE
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8FHG
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8F5Y
| Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | Deposit date: | 2022-11-15 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52, 2024
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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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8PP0
| Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 | Descriptor: | 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-07-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties. J.Med.Chem., 67, 2024
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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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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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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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8XU5
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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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8C1L
| Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | 1,2-ETHANEDIOL, Hepatocyte nuclear factor 4-alpha, Nuclear receptor coactivator 2, ... | Authors: | Ni, X, Merk, D, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide To Be Published
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8C5L
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8F8M
| LRH-1 bound to small molecule Tet and fragment of coactivator Tif2 | Descriptor: | (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | Authors: | Cato, M.L, Ortlund, E.A. | Deposit date: | 2022-11-22 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Isosteric improvements to liver receptor homolog-1 small molecule modulators To Be Published
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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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8HHP
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8HD3
| Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide | Descriptor: | Farnesoid X Receptor, [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone | Authors: | Lu, X, Zhang, H. | Deposit date: | 2022-11-03 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of FXR fused with a HD3 peptide in complex with agonist QT0127 To Be Published
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8FFW
| Cryo-EM structure of the GR-Hsp90-FKBP51 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Agard, D.A. | Deposit date: | 2022-12-10 | Release date: | 2023-11-01 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
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8FFV
| Cryo-EM structure of the GR-Hsp90-FKBP52 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Agard, D.A. | Deposit date: | 2022-12-10 | Release date: | 2023-11-01 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
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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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8HHQ
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8HF8
| Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | Descriptor: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | Deposit date: | 2022-11-09 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases. J.Med.Chem., 66, 2023
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