8WFE
 
 | | The Crystal Structure of PPARg from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor gamma | | 著者 | Wang, F, Cheng, W, Lv, Z, Guo, S, Lin, D. | | 登録日 | 2023-09-19 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Crystal Structure of PPARg from Biortus.
To Be Published
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8SZV
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | | 分子名称: | 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 | | 著者 | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | | 登録日 | 2023-05-30 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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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8VKZ
 | | Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | | 分子名称: | (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 | | 著者 | Judge, R.A, Hobson, A.D. | | 登録日 | 2024-01-10 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.133 Å) | | 主引用文献 | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties
Rsc Med Chem, 15, 2024
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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 | | 分子名称: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | | 著者 | Hong, W.B, Chen, X.Q, Lin, T.W. | | 登録日 | 2023-10-21 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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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4WHG
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | 分子名称: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | 著者 | 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. | | 登録日 | 2014-09-22 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | 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 | | 分子名称: | 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | 著者 | 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. | | 登録日 | 2014-09-22 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | 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 | | 分子名称: | L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... | | 著者 | Boenig, G, Hymowitz, S.G, Kiefer, J.R. | | 登録日 | 2014-10-07 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | 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 | | 分子名称: | N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide, Nuclear receptor ROR-gamma, RHKILHRLLQEGSPS | | 著者 | Kiefer, J.R, Wallweber, H.A, de Leon Boenig, G, Hymowitz, S.G. | | 登録日 | 2014-10-18 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | 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 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... | | 著者 | Delfosse, V, Huet, T, Bourguet, W. | | 登録日 | 2014-11-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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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 | | 分子名称: | (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 | | 著者 | Kakuda, S. | | 登録日 | 2023-03-17 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.639 Å) | | 主引用文献 | 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 | | 分子名称: | (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 | | 著者 | Kakuda, S. | | 登録日 | 2023-03-17 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.745 Å) | | 主引用文献 | 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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8PZ9
 | | Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55 | | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2023-07-27 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Design, Synthesis, Biological Activity of D-Bishomo-1a,25-dihydroxyvitamin D3 Analogs and their Crystal Structures with the Vitamin D Nuclear Receptor
To Be Published
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8PZ7
 | | crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 | | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2023-07-27 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Design, Synthesis, Biological Activity of D-Bishomo-1a,25-dihydroxyvitamin D3 Analogs and their Crystal Structures with the Vitamin D Nuclear Receptor
To Be Published
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8PP0
 | | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 | | 分子名称: | 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 | | 著者 | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-07-05 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties.
J.Med.Chem., 67, 2024
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6XZJ
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 12 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URR-UIL-URL-GLN, ... | | 著者 | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | 登録日 | 2020-02-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZH
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 10 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ARG-HIS-LYS-ILE-URL-URK-URL-LEU-GLN, Vitamin D3 receptor A | | 著者 | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | 登録日 | 2020-02-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.372 Å) | | 主引用文献 | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZI
 | | Structure of zVDR LBD-calcitriol in complex with chimera 11 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URK-UIL-URL, ... | | 著者 | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | 登録日 | 2020-02-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZK
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 13 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, GLU-ASN-ALA-UIA-URL-URY-URV-UZN-LYS, ... | | 著者 | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | 登録日 | 2020-02-04 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6Y3U
 | | Crystal structure of PPARgamma in complex with compound (R)-16 | | 分子名称: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-18 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
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6XZV
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 18 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, URA-UIA-URL-URY-URV-UZN-LYS, Vitamin D3 receptor A | | 著者 | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | 登録日 | 2020-02-05 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZLY
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6ZOQ
 | | Oestrogen receptor ligand binding domain in complex with compound 16 | | 分子名称: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | | 著者 | Breed, J. | | 登録日 | 2020-07-07 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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