3WT7
| Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1 ,25-dihydroxyvitamin D3 | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Anami, Y, Itoh, T, Yamamoto, K. | 登録日 | 2014-04-08 | 公開日 | 2014-06-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group. J.Med.Chem., 57, 2014
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3WT6
| A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Anami, Y, Itoh, T, Yamamoto, K. | 登録日 | 2014-04-08 | 公開日 | 2014-06-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group. J.Med.Chem., 57, 2014
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4Q50
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3WTQ
| Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Nakabayashi, M, Inaba, Y, Itoh, T, Anami, Y, Ikura, T, Ito, N, Yamamoto, K. | 登録日 | 2014-04-15 | 公開日 | 2015-04-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 To be Published
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4PF3
| Mineralocorticoid receptor ligand-binding domain with compuond 37a | 分子名称: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | 著者 | Sogabe, S, Habuka, N. | 登録日 | 2014-04-28 | 公開日 | 2014-11-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists Bioorg.Med.Chem., 22, 2014
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4QE8
| FXR with DM175 and NCoA-2 peptide | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | 登録日 | 2014-05-15 | 公開日 | 2015-08-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | FXR with DM175 and NCoA-2 peptide To be Published
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4PLE
| Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | 著者 | Ortlund, E.A, Musille, P.M. | 登録日 | 2014-05-16 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity. J.Biol.Chem., 291, 2016
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4PLD
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4UMM
| The Cryo-EM structure of the palindromic DNA-bound USP-EcR nuclear receptor reveals an asymmetric organization with allosteric domain positioning | 分子名称: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, 5'-D(*CP*AP*AP*GP*GP*GP*TP*TP*CP*AP*AP*TP*GP*CP *AP*CP*TP*TP*GP*TP)-3', 5'-D(*DGP*AP*CP*AP*AP*GP*TP*GP*CP*AP*TP*TP*GP*DAP *AP*CP*CP*CP*TP*T)-3', ... | 著者 | Maletta, M, Orlov, I, Moras, D, Billas, I.M.L, Klaholz, B.P. | 登録日 | 2014-05-19 | 公開日 | 2014-06-25 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (11.6 Å) | 主引用文献 | The Palindromic DNA-Bound Usp-Ecr Nuclear Receptor Adopts an Asymmetric Organization with Allosteric Domain Positioning. Nat.Commun., 5, 2014
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4QJR
| Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution | 分子名称: | (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, ACETATE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | 著者 | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | 登録日 | 2014-06-04 | 公開日 | 2014-07-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QK4
| Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to pip2 at 2.8 a resolution | 分子名称: | (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | 著者 | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | 登録日 | 2014-06-05 | 公開日 | 2014-07-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QL8
| Crystal structure of Androgen Receptor in complex with the ligand | 分子名称: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | 著者 | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | 登録日 | 2014-06-11 | 公開日 | 2015-06-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration J.Med.Chem., 57, 2014
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4QM0
| Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist | 分子名称: | DIMETHYL SULFOXIDE, N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma | 著者 | Boenig, G, Hymowitz, S.G, Wang, W. | 登録日 | 2014-06-14 | 公開日 | 2014-09-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists. Bioorg.Med.Chem.Lett., 24, 2014
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4TV1
| Crystal structure of hERa-LBD (Y537S) in complex with propylparaben | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estrogen receptor, ... | 著者 | Delfosse, V, Grimaldi, M, Bourguet, W. | 登録日 | 2014-06-25 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A structural perspective on nuclear receptors as targets of environmental compounds. Acta Pharmacol.Sin., 36, 2015
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4TUZ
| Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol | 分子名称: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ... | 著者 | Delfosse, V, Grimaldi, M, Bourguet, W. | 登録日 | 2014-06-25 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A structural perspective on nuclear receptors as targets of environmental compounds. Acta Pharmacol. Sin., 36, 2015
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3WWR
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1-((((1S,2R,6R,Z)-2,6-dihydroxy-4-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-3-methylenecyclohexyl)oxy)methyl)cyclopropanecarbonitrile | 分子名称: | 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile, Vitamin D3 receptor | 著者 | Kakuda, S, Takimoto-Kamimura, M. | 登録日 | 2014-06-27 | 公開日 | 2014-12-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Synthesis and biological activities of vitamin D3 derivatives with cyanoalkyl side chain at C-2 position. J.Steroid Biochem.Mol.Biol., 148, 2015
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4R06
| Crystal Structure of SR2067 bound to PPARgamma | 分子名称: | 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION | 著者 | Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B. | 登録日 | 2014-07-30 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism. Acs Chem.Biol., 11, 2016
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4R2U
| Crystal Structure of PPARgamma in complex with SR1664 | 分子名称: | 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Marciano, D.P, Kamenecka, T, Griffin, P.R, Bruning, J.B. | 登録日 | 2014-08-13 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Pharmacological repression of PPAR gamma promotes osteogenesis. Nat Commun, 6, 2015
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4R6S
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4RAK
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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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4RE8
| Crystal Structure of TR3 LBD in complex with Molecule 5 | 分子名称: | 1-(3,4,5-trihydroxyphenyl)dodecan-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, Weijia, W, Yuan, W, 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 (2.16 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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4REE
| Crystal Structure of TR3 LBD in complex with Molecule 6 | 分子名称: | 1-(2,3,4-trihydroxyphenyl)nonan-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, Yuan, W, 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 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.37 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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4REF
| Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | 分子名称: | 1-(3,4,5-trihydroxyphenyl)hexan-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, Yuan, W, 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 (2.1 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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