PDB: 1801 resultsInfo pagesStatus searchChemie searchBIRD

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8FKE	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904 To Be Published
8FKD	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33068 To Be Published
8FKC	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33544 To Be Published
8FKG	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33486 To Be Published
8FKF	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR36706 To Be Published
7C6Q	Novel natural PPARalpha agonist with a unique binding mode Descriptor: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha Authors: Tian, S.Y, Wang, R, Zheng, W.L, Li, Y. Deposit date: 2020-05-22 Release date: 2021-05-26 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition. Molecules, 26, 2021
8GXP	Complex structure of RORgama with betulinic acid Descriptor: Betulinic acid, Nuclear receptor ROR-gamma Authors: Zhang, X.L, Xu, C, Bai, F. Deposit date: 2022-09-20 Release date: 2023-06-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists. Eur.J.Med.Chem., 257, 2023
7D42	Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor Descriptor: Bile acid receptor, Peptide from Nuclear receptor coactivator 2, Tropifexor Authors: Jiang, L, Chen, Y. Deposit date: 2020-09-22 Release date: 2020-12-02 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.697 Å) Cite: Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor. Biochem.Biophys.Res.Commun., 534, 2021
7CXE	The ligand-free structure of human PPARgamma LBD R280C mutant Descriptor: Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
7CXJ	The ligand-free structure of human PPARgamma LBD R288C mutant in the presence of the SRC-1 coactivator peptide Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.65 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
7CXL	The ligand-free structure of human PPARgamma LBD S289C mutant in the presence of the SRC-1 coactivator peptide Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, MALONIC ACID, Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.7 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
7CXG	The ligand-free structure of human PPARgamma LBD Q286E mutant Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.88 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
7CXH	The ligand-free structure of human PPARgamma LBD Q286E mutant in the presence of the SRC-1 coactivator peptide Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
7CXI	The ligand-free structure of human PPARgamma LBD F287Y mutant in the presence of the SRC-1 coactivator peptide Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, MALONATE ION, Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
7CXF	The ligand-free structure of human PPARgamma LBD C285Y mutant in the presence of the SRC-1 coactivator peptide Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, MALONIC ACID, Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.35 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
7CXK	The ligand-free structure of human PPARgamma LBD R288H mutant in the presence of the SRC-1 coactivator peptide Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, MALONATE ION, Peroxisome proliferator-activated receptor gamma Authors: Jang, D.M, Han, B.W. Deposit date: 2020-09-01 Release date: 2021-09-01 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The ligand-free structure of human PPARgamma LBD To Be Published
8HUO	X-ray structure of human PPAR delta ligand binding domain-seladelpar co-crystals obtained by co-crystallization Descriptor: Peroxisome proliferator-activated receptor delta, Seladelpar Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.671 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUM	X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUP	X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma, Seladelpar Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.36 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUL	X-ray structure of human PPAR delta ligand binding domain-lanifibranor co-crystals obtained by co-crystallization Descriptor: 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor delta Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.461 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUK	X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor alpha Authors: Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.981 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUN	X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUQ	X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, ... Authors: Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HF8	Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 Descriptor: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside Authors: Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. Deposit date: 2022-11-09 Release date: 2023-09-06 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases. J.Med.Chem., 66, 2023
8HHQ	Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma Authors: Kojima, H, Itoh, T. Deposit date: 2022-11-16 Release date: 2023-09-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry. J.Med.Chem., 66, 2023

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