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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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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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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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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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: | 2024-06-19 | 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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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: | 2024-06-19 | 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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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: | 2024-06-19 | 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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6ZFP
| Cryo-EM structure of DNA-PKcs (State 2) | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-17 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.24 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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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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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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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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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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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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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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6XRN
| Crystal structure of human PI3K-gamma in complex with Compound 17 | Descriptor: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2021-11-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ). J.Med.Chem., 65, 2022
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6XRL
| Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549 | Descriptor: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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6XRM
| Crystal structure of human PI3K-gamma in complex with Compound 4 | Descriptor: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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7JIS
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F | Descriptor: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M. | Deposit date: | 2020-07-23 | Release date: | 2020-12-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Optimization of Versatile Oxindoles as Selective PI3K delta Inhibitors. Acs Med.Chem.Lett., 11, 2020
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7JIU
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F | Descriptor: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Lesburg, C.A, Augustin, M. | Deposit date: | 2020-07-23 | Release date: | 2021-06-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Optimization of Versatile Oxindoles as Selective PI3K delta Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6ZWO
| cryo-EM structure of human mTOR complex 2, focused on one half | Descriptor: | ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T. | Deposit date: | 2020-07-28 | Release date: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The 3.2- angstrom resolution structure of human mTORC2. Sci Adv, 6, 2020
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6ZWM
| cryo-EM structure of human mTOR complex 2, overall refinement | Descriptor: | ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T. | Deposit date: | 2020-07-28 | Release date: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The 3.2- angstrom resolution structure of human mTORC2. Sci Adv, 6, 2020
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7JWE
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7JX0
| NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma | Descriptor: | N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Burke, J.E, Rathinaswamy, M.K, Harris, N.J. | Deposit date: | 2020-08-26 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. Elife, 10, 2021
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7JWZ
| IPI-549 bound to the PI3Kg catalytic subunit p110 gamma | Descriptor: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Burke, J.E, Rathinaswamy, M.K, Harris, N.J. | Deposit date: | 2020-08-26 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. Elife, 10, 2021
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7K0Y
| Cryo-EM structure of activated-form DNA-PK (complex VI) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-06 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
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