5Z5S
 
 | | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | | 分子名称: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2018-01-19 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
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5Z6S
 | | Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | | 分子名称: | 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2018-01-25 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
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1ZGY
 | | Structural and Biochemical Basis for Selective Repression of the Orphan Nuclear Receptor LRH-1 by SHP | | 分子名称: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Nuclear receptor subfamily 0, ... | | 著者 | Li, Y, Choi, M, Suino, K, Kovach, A, Daugherty, J, Kliewer, S.A, Xu, H.E. | | 登録日 | 2005-04-22 | | 公開日 | 2005-07-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and biochemical basis for selective repression of the orphan nuclear receptor liver receptor homolog 1 by small heterodimer partner.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5Y2O
 | | Structure of PPARgamma ligand binding domain-pioglitazone complex | | 分子名称: | (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | 著者 | Im, Y.J, Lee, M. | | 登録日 | 2017-07-26 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
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8FKF
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6K0T
 | | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17 | | 分子名称: | 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | 著者 | Suzuki, M, Yamamoto, K, Takahashi, Y, Saito, J. | | 登録日 | 2019-05-07 | | 公開日 | 2019-10-30 | | 最終更新日 | 2019-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.
Bioorg.Med.Chem., 27, 2019
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5GTN
 | | Human PPARgamma ligand binding dmain complexed with R35 | | 分子名称: | 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Jang, J.Y, Suh, S.W. | | 登録日 | 2016-08-22 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site.
Biochim. Biophys. Acta, 1865, 2017
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8PBO
 | | Deep interactome learning for generative drug design | | 分子名称: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | 著者 | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | 登録日 | 2023-06-09 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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8SC9
 | | Structure of PPARG in complex with MTX-531 | | 分子名称: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | | 著者 | Whitehead, C.E, Leopold, J. | | 登録日 | 2023-04-05 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.855 Å) | | 主引用文献 | Structure of PPARG in complex with MTX-531
To Be Published
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8B8W
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) | | 分子名称: | 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, GLYCEROL, Nuclear receptor corepressor 2, ... | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-10-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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7CXG
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6DHA
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3WJ5
 | | Crystal structure of PPARgamma ligand binding domain in complex with triphenyltin | | 分子名称: | Peroxisome proliferator-activated receptor gamma, triphenylstannanyl | | 著者 | Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T. | | 登録日 | 2013-10-04 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds
To be Published
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2ZVT
 | | Cys285Ser mutant PPARgamma ligand-binding domain complexed with 15-deoxy-delta12,14-prostaglandin J2 | | 分子名称: | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Waku, T, Oyama, T, Shiraki, T, Morikawa, K. | | 登録日 | 2008-11-19 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Atomic structure of mutant PPARgamma LBD complexed with 15d-PGJ2: novel modulation mechanism of PPARgamma/RXRalpha function by covalently bound ligands
Febs Lett., 583, 2009
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8AQN
 | | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | | 分子名称: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-08-12 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
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8ATY
 | | Crystal structure of PPAR gamma (PPARG) in complex with JP85 (compound 1). | | 分子名称: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-08-24 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
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6D8X
 | | PPAR gamma LBD complexed with the agonist GW1929 | | 分子名称: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CITRATE ANION, GLYCEROL, ... | | 著者 | Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R. | | 登録日 | 2018-04-27 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | PPAR gamma LBD complexed with the agonist GW1929
To Be Published
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6D94
 | | Crystal structure of PPAR gamma in complex with Mediator of RNA polymerase II transcription subunit 1 | | 分子名称: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Mediator of RNA polymerase II transcription subunit 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R. | | 登録日 | 2018-04-27 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A structural mechanism of nuclear receptor biased agonism.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3LMP
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | 分子名称: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2010-01-31 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
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4F9M
 | | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | | 分子名称: | (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1 | | 著者 | Matsui, Y, Hanzawa, H. | | 登録日 | 2012-05-19 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators
Eur.J.Med.Chem., 54, 2012
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5TWO
 | | Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selectively PPAR gamma-modulating ligand VSP-51 | | 分子名称: | N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide, PRO-SER-LEU-LEU-LYS-LYS-LEU-LEU-LEU-ALA-PRO, Peroxisome proliferator-activated receptor gamma | | 著者 | Yi, W, Shi, J, Zhao, G, Zhou, X.E, Suino-Powell, K, Melcher, K, Xu, H.E. | | 登録日 | 2016-11-14 | | 公開日 | 2017-02-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.927 Å) | | 主引用文献 | Identification of a novel selective PPAR gamma ligand with a unique binding mode and improved therapeutic profile in vitro.
Sci Rep, 7, 2017
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7AWD
 | | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with garcinoic acid | | 分子名称: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, CITRIC ACID, GLYCEROL, ... | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-11-06 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Endogenous vitamin E metabolites mediate allosteric PPAR gamma activation with unprecedented co-regulatory interactions.
Cell Chem Biol, 28, 2021
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8DKN
 | | PPARg bound to T0070907 and Co-R peptide | | 分子名称: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ... | | 著者 | Larsen, N.A, Tsai, J. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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6MD0
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3WJ4
 | | Crystal structure of PPARgamma ligand binding domain in complex with tributyltin | | 分子名称: | Peroxisome proliferator-activated receptor gamma, tributylstannanyl | | 著者 | Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T. | | 登録日 | 2013-10-04 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds
To be Published
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