8W9B
| CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | Descriptor: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 32, 2024
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8QRI
| TRRAP and EP400 in the human Tip60 complex | Descriptor: | E1A-binding protein p400, Transformation/transcription domain-associated protein | Authors: | Li, C, Smirnova, E, Schnitzler, C, Crucifix, C, Concordet, J.P, Brion, A, Poterszman, A, SChultz, P, Papai, G, Ben-Shem, A. | Deposit date: | 2023-10-09 | Release date: | 2024-08-07 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of human TIP60-C histone exchange and acetyltransferase complex. Nature, 2024
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8V8J
| PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8V8H
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8V8I
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8V8V
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-06 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8RCH
| CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, overall refinement | Descriptor: | Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Anandapadamanaban, M, Hay, I.M, Perisic, O, Williams, R.L. | Deposit date: | 2023-12-06 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | cryoEM structure of mTORC1 with the cancer-associated 1455-EWED-1458 duplication variant, overall refinement To Be Published
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8RCK
| CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused on one protomer copy. | Descriptor: | Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Anandapadamanaban, M, Hay, I.M, Perisic, O, Williams, R.L. | Deposit date: | 2023-12-06 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused on one protomer copy. To Be Published
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8RCN
| CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused region of mTOR and RAPTOR on one protomer copy. | Descriptor: | Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Anandapadamanaban, M, Hay, I.M, Perisic, O, Williams, R.L. | Deposit date: | 2023-12-06 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused region of mTOR and RAPTOR on one protomer copy. To Be Published
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8V8U
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-06 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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8VOF
| GI targeted CpPI4K inhibitor | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2 of Phosphatidylinositol 4-kinase beta,Isoform 2 of Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ... | Authors: | Knapp, M.S, Cuellar, C, Mamo, M. | Deposit date: | 2024-01-15 | Release date: | 2024-09-04 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cryptosporidium PI(4)K inhibitor EDI048 is a gut-restricted parasiticidal agent to treat paediatric enteric cryptosporidiosis Nat Microbiol, 2024
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8XVV
| The TRRAP module of human NuA4/TIP60 complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Isoform 2 of E1A-binding protein p400, Isoform 2 of Transformation/transcription domain-associated protein | Authors: | Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human TIP60 complex. Nat Commun, 15, 2024
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8XVG
| Structure of human NuA4/TIP60 complex | Descriptor: | ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, Actin-like protein 6A, ... | Authors: | Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | Structure of the human TIP60 complex. Nat Commun, 15, 2024
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8RXR
| Crystal structure of VPS34 in complex with inhibitor SB02024 | Descriptor: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | Deposit date: | 2024-02-07 | Release date: | 2024-03-20 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 18, 2024
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8S3R
| HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | Descriptor: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | Deposit date: | 2024-02-20 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 67, 2024
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9B9G
| Structure of the PI4KA complex bound to Calcineurin | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, Hyccin, ... | Authors: | Shaw, A.L, Suresh, S, Yip, C.K, Burke, J.E. | Deposit date: | 2024-04-02 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of calcineurin bound to PI4KA reveals dual interface in both PI4KA and FAM126A. Structure, 2024
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9F44
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9F45
| cryo-EM structure of human LST2 bound to human mTOR complex 1 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR, ... | Authors: | Craigie, L.M, Maier, T. | Deposit date: | 2024-04-26 | Release date: | 2024-08-14 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR. Proc.Natl.Acad.Sci.USA, 121, 2024
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9C47
| TRRAP module of the human TIP60 complex | Descriptor: | E1A-binding protein p400, Transformation/transcription domain-associated protein | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | Deposit date: | 2024-06-03 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex. Science, 385, 2024
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9C82
| Structure of human ULK1C:PI3KC3-C1 supercomplex | Descriptor: | Beclin 1-associated autophagy-related key regulator, Beclin-1, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | Authors: | Chen, M, Hurley, J.H. | Deposit date: | 2024-06-11 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.84 Å) | Cite: | Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex bioRxiv, 2023
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