8OXP
| ATM(Q2971A) in complex with Mg AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
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8OXM
| ATM(Q2971A) activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide | Descriptor: | Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
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8OXQ
| ATM(Q2971A) dimeric C-terminal region in complex with Mg AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
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8OXO
| ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide | Descriptor: | Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
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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: | 2024-03-27 | 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, 2024
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8SOA
| Phosphoinositide phosphate 3 kinase gamma bound with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase | Authors: | Chen, C.-L, Tesmer, J.J.G. | Deposit date: | 2023-04-28 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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8SO9
| Phosphoinositide phosphate 3 kinase gamma | Descriptor: | Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase | Authors: | Chen, C.-L, Tesmer, J.J.G. | Deposit date: | 2023-04-28 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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8SOB
| Phosphoinositide phosphate 3 kinase gamma bound with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase | Authors: | Chen, C.-L, Tesmer, J.J.G. | Deposit date: | 2023-04-28 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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7OIL
| mPI3Kd in complex with compound 58 | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OI4
| mPI3Kd in complex with compound 12 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIS
| mPI3Kd in complex with compound 7 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-12 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIJ
| mPI3Kd in complex with an inhibitor | Descriptor: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OTP
| DNA-PKcs in complex with ATPgammaS-Mg | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTY
| DNA-PKcs in complex with M3814 | Descriptor: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTM
| Cryo-EM structure of DNA-PKcs in complex with NU7441 | Descriptor: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTW
| DNA-PKcs in complex with AZD7648 | Descriptor: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTV
| DNA-PKcs in complex with wortmannin | Descriptor: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7POT
| PI3 kinase delta in complex with N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide | Descriptor: | N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Rowland, P, Convery, M. | Deposit date: | 2021-09-09 | Release date: | 2021-09-29 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021
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7POR
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7POP
| PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide | Descriptor: | 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Rowland, P, Convery, M. | Deposit date: | 2021-09-09 | Release date: | 2021-09-29 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021
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7POS
| PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide | Descriptor: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Rowland, P, Convery, M. | Deposit date: | 2021-09-09 | Release date: | 2021-09-29 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021
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7PW4
| Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor | Descriptor: | 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Langer, L.M, Conti, E. | Deposit date: | 2021-10-06 | Release date: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8. Elife, 10, 2021
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7PW8
| Human SMG1-8-9 kinase complex bound to AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | Authors: | Langer, L.M, Conti, E. | Deposit date: | 2021-10-06 | Release date: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8. Elife, 10, 2021
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7PW6
| Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor - SMG1 body | Descriptor: | 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, INOSITOL HEXAKISPHOSPHATE, Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1 | Authors: | Langer, L.M, Conti, E. | Deposit date: | 2021-10-06 | Release date: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8. Elife, 10, 2021
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7PW9
| Human SMG1-9 kinase complex bound to AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | Authors: | Langer, L.M, Conti, E. | Deposit date: | 2021-10-06 | Release date: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8. Elife, 10, 2021
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