8TU6
| CryoEM structure of PI3Kalpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Valverde, R, Shi, H, Holliday, M. | Deposit date: | 2023-08-15 | Release date: | 2023-11-15 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSB
| Human PI3K p85alpha/p110alpha bound to compound 2 | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSA
| Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS8
| p85alpha/p110alpha heterodimer H1047R mutant | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSD
| Human PI3K p85alpha/p110alpha bound to RLY-2608 | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS7
| Human PI3K p85alpha/p110alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS9
| Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSC
| Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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5FA8
| SAM complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicu | Descriptor: | MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ... | Authors: | Ouyang, S. | Deposit date: | 2015-12-11 | Release date: | 2016-06-29 | Last modified: | 2016-09-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism Mol.Cell Proteomics, 15, 2016
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1O1F
| MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | Deposit date: | 2002-11-15 | Release date: | 2002-12-04 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (70 Å) | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle J.Struct.Biol., 138, 2002
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6M2B
| Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H. | Deposit date: | 2020-02-27 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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1O1A
| MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | Deposit date: | 2002-11-18 | Release date: | 2002-12-04 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (70 Å) | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle J.Struct.Biol., 138, 2002
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5FAD
| SAH complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicus | Descriptor: | MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ... | Authors: | Ouyang, S. | Deposit date: | 2015-12-11 | Release date: | 2016-06-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism Mol.Cell Proteomics, 15, 2016
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6XKR
| Structure of Sasanlimab Fab in complex with PD-1 | Descriptor: | GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ... | Authors: | Kimberlin, C.R, Chin, S.M. | Deposit date: | 2020-06-27 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody. Mol.Cancer Ther., 19, 2020
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7WL9
| Mouse Pendrin in chloride and bicarbonate in asymmetric state | Descriptor: | CHLORIDE ION, Pendrin | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2022-01-12 | Release date: | 2023-04-12 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger. Nat Commun, 14, 2023
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7WL2
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6MNL
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7WLA
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7WLE
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7WK1
| Mouse Pendrin bound chloride in inward state | Descriptor: | CHLORIDE ION, Pendrin | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2022-01-08 | Release date: | 2023-04-12 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger. Nat Commun, 14, 2023
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7WL7
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7WK7
| Mouse Pendrin bound bicarbonate in inward state | Descriptor: | BICARBONATE ION, Pendrin | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2022-01-08 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger. Nat Commun, 14, 2023
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7WLB
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7WL8
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4YVV
| Crystal structure of AKR1C3 complexed with glibenclamide | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | Deposit date: | 2015-03-20 | Release date: | 2015-11-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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