6ZAA
| PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | Descriptor: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | Deposit date: | 2020-06-05 | Release date: | 2020-07-15 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6ZHE
| Cryo-EM structure of DNA-PK dimer | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-23 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.24 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6ZH2
| Cryo-EM structure of DNA-PKcs (State 1) | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-20 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6ZAC
| PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | Deposit date: | 2020-06-05 | Release date: | 2020-07-01 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6ZH6
| Cryo-EM structure of DNA-PKcs:Ku80ct194 | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5 | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6ZH4
| Cryo-EM structure of DNA-PKcs (State 3) | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-20 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6Z3A
| Mec1-Ddc2 (wild-type) in complex with AMP-PNP | Descriptor: | DNA damage checkpoint protein LCD1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase MEC1, ... | Authors: | Yates, L.A, Zhang, X. | Deposit date: | 2020-05-19 | Release date: | 2020-11-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase. Nat.Struct.Mol.Biol., 28, 2021
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6ZHA
| Cryo-EM structure of DNA-PK monomer | Descriptor: | DNA, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5, ... | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6Z2W
| Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP | Descriptor: | DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Yates, L.A, Zhang, X. | Deposit date: | 2020-05-18 | Release date: | 2020-11-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase. Nat.Struct.Mol.Biol., 28, 2021
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6Z3R
| Structure of SMG1-8-9 kinase complex bound to UPF1-LSQ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | Authors: | Langer, L.M, Gat, Y, Conti, E. | Deposit date: | 2020-05-21 | Release date: | 2020-06-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure of substrate-bound SMG1-8-9 kinase complex reveals molecular basis for phosphorylation specificity. Elife, 9, 2020
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6ZAD
| PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | Deposit date: | 2020-06-05 | Release date: | 2020-07-29 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6Z2X
| Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP (State II) | Descriptor: | DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Yates, L.A, Zhang, X. | Deposit date: | 2020-05-18 | Release date: | 2020-11-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase. Nat.Struct.Mol.Biol., 28, 2021
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6ZH8
| Cryo-EM structure of DNA-PKcs:DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*T)-3'), DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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8OW2
| Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938 | Descriptor: | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | Deposit date: | 2023-04-26 | Release date: | 2023-05-24 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 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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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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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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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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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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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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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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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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4DK5
| Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor | Descriptor: | 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-02-03 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases. J.Med.Chem., 55, 2012
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4F1S
| Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
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4FA6
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