7YL9
 
 | | Cryo-EM structure of complete transmembrane channel E289A mutant Vibrio cholerae Cytolysin | | Descriptor: | Hemolysin | | Authors: | Mondal, A.K, Sengupta, N, Singh, M, Biswas, R, Lata, K, Lahiri, I, Dutta, S, Chattopadhyay, K. | | Deposit date: | 2022-07-25 | | Release date: | 2022-08-31 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cryo-EM structure of complete transmembrane channel E289A mutant Vibrio cholerae Cytolysin
J.Biol.Chem.
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8UEC
 | | Structure of TREK-1CG*:CAT335a | | Descriptor: | CADMIUM ION, DECANE, HEXADECANE, ... | | Authors: | Mondal, A, Lee, H, Minor, D.L. | | Deposit date: | 2023-09-30 | | Release date: | 2024-06-26 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Development of covalent chemogenetic K 2P channel activators.
Cell Chem Biol, 31, 2024
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8UE2
 | | Structure of TREK-1CG*:ML335 | | Descriptor: | CADMIUM ION, DECANE, HEXADECANE, ... | | Authors: | Mondal, A, Lee, H, Minor, D.L. | | Deposit date: | 2023-09-29 | | Release date: | 2024-06-26 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Development of covalent chemogenetic K 2P channel activators.
Cell Chem Biol, 31, 2024
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8UE9
 | | Structure of TREK-1CG*:CAT335 | | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | | Authors: | Mondal, A, Lee, H, Minor, D.L. | | Deposit date: | 2023-09-29 | | Release date: | 2024-06-26 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Development of covalent chemogenetic K 2P channel activators.
Cell Chem Biol, 31, 2024
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8F5G
 | | NusG-RNA complex | | Descriptor: | DI(HYDROXYETHYL)ETHER, RNA, Transcription termination/antitermination protein NusG | | Authors: | Elghondakly, A.T, Ferre-D'Amare, A.R. | | Deposit date: | 2022-11-14 | | Release date: | 2023-11-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Major-groove sequence-specific RNA recognition by LoaP, a paralog of transcription elongation factor NusG.
Structure, 32, 2024
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5X6F
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2W7X
 | | Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | | Authors: | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | | Deposit date: | 2009-01-06 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019.
J.Pharmacol.Exp.Ther., 331, 2009
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9IWJ
 | | X-ray structure of human PPARalpha ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization | | Descriptor: | Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Honda, A, Masuda, R, Oota, M, Namatame, R, Machida, Y, Uchii, K, Shiiyama, Y, Oyama, T, Ishii, I. | | Deposit date: | 2024-07-25 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Competitive Ligand-Induced Recruitment of Coactivators to Specific PPAR alpha / delta / gamma Ligand-Binding Domains Revealed by Dual-Emission FRET and X-Ray Diffraction of Cocrystals.
Antioxidants, 14, 2025
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9IWK
 | | X-ray structure of human PPARgamma ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization | | Descriptor: | Isoform 1 of Peroxisome proliferator-activated receptor gamma, Nuclear receptor corepressor 2 | | Authors: | Kamata, S, Honda, A, Masuda, R, Oota, M, Namatame, R, Machida, Y, Uchii, K, Shiiyama, Y, Oyama, T, Ishii, I. | | Deposit date: | 2024-07-25 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Competitive Ligand-Induced Recruitment of Coactivators to Specific PPAR alpha / delta / gamma Ligand-Binding Domains Revealed by Dual-Emission FRET and X-Ray Diffraction of Cocrystals.
Antioxidants, 14, 2025
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9IWN
 | | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-PGC1alpha coactivator peptide co-crystals obtained by cross-seeding | | Descriptor: | GLYCEROL, PALMITIC ACID, Peroxisome proliferator-activated receptor alpha, ... | | Authors: | Kamata, S, Honda, A, Yashiro, S, Komori, Y, Shimamura, A, Hosoda, A, Oyama, T, Ishii, I. | | Deposit date: | 2024-07-25 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Competitive Ligand-Induced Recruitment of Coactivators to Specific PPAR alpha / delta / gamma Ligand-Binding Domains Revealed by Dual-Emission FRET and X-Ray Diffraction of Cocrystals.
Antioxidants, 14, 2025
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9IWL
 | | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-CBP coactivator peptide co-crystals obtained by cross-seeding | | Descriptor: | CREB-binding protein, GLYCEROL, PALMITIC ACID, ... | | Authors: | Kamata, S, Honda, A, Yashiro, S, Komori, Y, Shimamura, A, Hosoda, A, Oyama, T, Ishii, I. | | Deposit date: | 2024-07-25 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Competitive Ligand-Induced Recruitment of Coactivators to Specific PPAR alpha / delta / gamma Ligand-Binding Domains Revealed by Dual-Emission FRET and X-Ray Diffraction of Cocrystals.
Antioxidants, 14, 2025
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9IWM
 | | X-ray structure of human PPARalpha ligand binding domain-GW7647-TRAP220 coactivator peptide co-crystals obtained by cross-seeding | | Descriptor: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, GLYCEROL, Mediator of RNA polymerase II transcription subunit 1, ... | | Authors: | Kamata, S, Honda, A, Yashiro, S, Komori, Y, Shimamura, A, Hosoda, A, Oyama, T, Ishii, I. | | Deposit date: | 2024-07-25 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Competitive Ligand-Induced Recruitment of Coactivators to Specific PPAR alpha / delta / gamma Ligand-Binding Domains Revealed by Dual-Emission FRET and X-Ray Diffraction of Cocrystals.
Antioxidants, 14, 2025
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9IWO
 | | X-ray structure of human PPARalpha ligand binding domain-GW7647-PGC1alpha coactivator peptide co-crystals obtained by cross-seeding | | Descriptor: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | | Authors: | Kamata, S, Honda, A, Yashiro, S, Komori, Y, Shimamura, A, Hosoda, A, Oyama, T, Ishii, I. | | Deposit date: | 2024-07-25 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Competitive Ligand-Induced Recruitment of Coactivators to Specific PPAR alpha / delta / gamma Ligand-Binding Domains Revealed by Dual-Emission FRET and X-Ray Diffraction of Cocrystals.
Antioxidants, 14, 2025
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9MRK
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9MRN
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9MRM
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9MRL
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7E0A
 | | X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization | | Descriptor: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Isoform 2 of Peroxisome proliferator-activated receptor gamma | | Authors: | Kamata, S, Honda, A, Uchii, K, Machida, Y, Oyama, T, Ishii, I. | | Deposit date: | 2021-01-27 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.771 Å) | | Cite: | Structural Basis for Anti-non-alcoholic Fatty Liver Disease and Diabetic Dyslipidemia Drug Saroglitazar as a PPAR alpha / gamma Dual Agonist.
Biol.Pharm.Bull., 44, 2021
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8UF6
 | | Structure of Trek-1(K2P2.1) with ML336 | | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | | Authors: | Lolicato, M, Mondal, A, Minor, D.L. | | Deposit date: | 2023-10-03 | | Release date: | 2024-06-26 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Development of covalent chemogenetic K 2P channel activators.
Cell Chem Biol, 31, 2024
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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
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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
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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
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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
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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
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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
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