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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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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4RFW
 | | Crystal structure of human retinoid X Receptor alpha-ligand binding domain complex with 9cUAB70 and the coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Xia, G, Muccio, D.D, Smith, C.D. | | 登録日 | 2014-09-28 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
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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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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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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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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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4RAK
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4R6S
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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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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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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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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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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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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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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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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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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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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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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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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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4Q50
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