4ZO1
 
 | | Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha | | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ... | | 著者 | Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W. | | 登録日 | 2015-05-05 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.221 Å) | | 主引用文献 | Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
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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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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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5TTO
 | | X-ray crystal structure of PPARgamma in complex with SR1643 | | 分子名称: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A. | | 登録日 | 2016-11-04 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.246 Å) | | 主引用文献 | Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
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3FV8
 | | JNK3 bound to piperazine amide inhibitor, SR2774. | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10 | | 著者 | Habel, J.E. | | 登録日 | 2009-01-15 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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6C1I
 | | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 | | 分子名称: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid | | 著者 | Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J. | | 登録日 | 2018-01-04 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
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6C5Q
 | | PPARg LBD bound to SR10171 | | 分子名称: | 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Bruning, J.B, Frkic, R.L. | | 登録日 | 2018-01-16 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | | 主引用文献 | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix.
iScience, 5, 2018
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6C5T
 | | PPARg LBD bound to SR11023 | | 分子名称: | 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Bruning, J.B, Frkic, R.L, Griffin, P.R. | | 登録日 | 2018-01-16 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix.
iScience, 5, 2018
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6D3E
 | | PPARg LBD in Complex with SR1988 | | 分子名称: | 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Frkic, R.L, Bruning, J.B. | | 登録日 | 2018-04-15 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | | 主引用文献 | Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
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7SQA
 | | PPAR gamma LBD bound to SR10221 and SMRT corepressor motif | | 分子名称: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | 著者 | Frkic, R.L, Pederick, J.L, Bruning, J.B. | | 登録日 | 2021-11-05 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.499 Å) | | 主引用文献 | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
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7SQB
 | | PPAR gamma LBD bound to Inverse Agonist SR10221 | | 分子名称: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Frkic, R.L, Pederick, J.L, Bruning, J.B. | | 登録日 | 2021-11-05 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
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6DGO
 | | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone | | 分子名称: | (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | 著者 | Shang, J, Kojetin, D.J. | | 登録日 | 2018-05-17 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6DGR
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6DGL
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6DGQ
 | | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506 | | 分子名称: | N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Shang, J, Kojetin, D.J. | | 登録日 | 2018-05-17 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6NWS
 | | RORgamma Ligand Binding Domain | | 分子名称: | 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide, Nuclear receptor ROR-gamma | | 著者 | Strutzenberg, T.S, Park, H.J, Griffin, P.R. | | 登録日 | 2019-02-07 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
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6NWU
 | | RORgamma Ligand Binding Domain | | 分子名称: | 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole, Nuclear receptor ROR-gamma | | 著者 | Strutzenberg, T.S, Park, H, Griffin, P.R. | | 登録日 | 2019-02-07 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
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6NWT
 | | RORgamma Ligand Binding Domain | | 分子名称: | 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol, Nuclear receptor ROR-gamma | | 著者 | Strutzenberg, T.S, Park, H, Griffin, P.R. | | 登録日 | 2019-02-07 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
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6O68
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6O67
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3D6D
 | | Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer) | | 分子名称: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R. | | 登録日 | 2008-05-19 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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2Q6S
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2Q5P
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2Q59
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