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PDB: 480 件

6ZHA
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BU of 6zha by Molmil
Cryo-EM structure of DNA-PK monomer
分子名称: 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, ...
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-21
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6Z3R
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BU of 6z3r by Molmil
Structure of SMG1-8-9 kinase complex bound to UPF1-LSQ
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Langer, L.M, Gat, Y, Conti, E.
登録日2020-05-21
公開日2020-06-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure of substrate-bound SMG1-8-9 kinase complex reveals molecular basis for phosphorylation specificity.
Elife, 9, 2020
6ZH8
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BU of 6zh8 by Molmil
Cryo-EM structure of DNA-PKcs:DNA
分子名称: 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
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-21
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
7JIU
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BU of 7jiu by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F
分子名称: (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
著者Lesburg, C.A, Augustin, M.
登録日2020-07-23
公開日2021-06-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Optimization of Versatile Oxindoles as Selective PI3K delta Inhibitors.
Acs Med.Chem.Lett., 11, 2020
8SOB
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BU of 8sob by Molmil
Phosphoinositide phosphate 3 kinase gamma bound with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase
著者Chen, C.-L, Tesmer, J.J.G.
登録日2023-04-28
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma.
Nat.Struct.Mol.Biol., 2024
8SOA
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BU of 8soa by Molmil
Phosphoinositide phosphate 3 kinase gamma bound with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase
著者Chen, C.-L, Tesmer, J.J.G.
登録日2023-04-28
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma.
Nat.Struct.Mol.Biol., 2024
8SO9
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BU of 8so9 by Molmil
Phosphoinositide phosphate 3 kinase gamma
分子名称: Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase
著者Chen, C.-L, Tesmer, J.J.G.
登録日2023-04-28
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma.
Nat.Struct.Mol.Biol., 2024
7K11
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BU of 7k11 by Molmil
CryoEM structure of inactivated-form FATKIN domain of DNA-PK
分子名称: DNA-dependent protein kinase catalytic subunit
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-06
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7JX0
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BU of 7jx0 by Molmil
NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma
分子名称: 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
著者Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
登録日2020-08-26
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
7JWE
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BU of 7jwe by Molmil
Gedatolisib bound to the PI3Kg catalytic subunit p110 gamma
分子名称: Gedatolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
登録日2020-08-25
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
7JWZ
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BU of 7jwz by Molmil
IPI-549 bound to the PI3Kg catalytic subunit p110 gamma
分子名称: 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
著者Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
登録日2020-08-26
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
分子名称: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者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.
登録日2024-02-07
公開日2024-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
7K0Y
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BU of 7k0y by Molmil
Cryo-EM structure of activated-form DNA-PK (complex VI)
分子名称: 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, ...
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-06
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7K10
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BU of 7k10 by Molmil
CryoEM structure of activated-form FATKIN domain of DNA-PK
分子名称: DNA-dependent protein kinase catalytic subunit
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-06
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7K6O
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BU of 7k6o by Molmil
Crystal structure of PI3Kalpha inhibitor 10-5429
分子名称: (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
登録日2020-09-21
公開日2021-01-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.738 Å)
主引用文献Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7K19
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BU of 7k19 by Molmil
CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex I)
分子名称: DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-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
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-07
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7K1N
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BU of 7k1n by Molmil
CryoEM structure of inactivated-form DNA-PK (Complex V)
分子名称: DNA (5'-D(P*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(P*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, ...
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-08
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7K1B
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BU of 7k1b by Molmil
CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex II)
分子名称: DNA (5'-D(P*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*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
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-07
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7JIS
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BU of 7jis by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F
分子名称: (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
著者Lesburg, C.A, Augustin, M.
登録日2020-07-23
公開日2020-12-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Optimization of Versatile Oxindoles as Selective PI3K delta Inhibitors.
Acs Med.Chem.Lett., 11, 2020
7K1J
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BU of 7k1j by Molmil
CryoEM structure of inactivated-form DNA-PK (Complex III)
分子名称: 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, ...
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-07
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7K71
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BU of 7k71 by Molmil
Crystal structure of PI3Kalpha inhibitor 4-0686
分子名称: 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
登録日2020-09-21
公開日2021-01-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7K6N
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BU of 7k6n by Molmil
Crystal structure of PI3Kalpha selective Inhibitor 11-1575
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
著者Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
登録日2020-09-21
公開日2021-01-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
7KKE
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Phosphoinositide 3-Kinase gamma bound to a thiazole inhibitor
分子名称: N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Jacobs, M.D, Griffith, J.P.
登録日2020-10-27
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3K gamma Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K1K
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BU of 7k1k by Molmil
CryoEM structure of inactivated-form DNA-PK (Complex IV)
分子名称: 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, ...
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-07
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7K6M
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BU of 7k6m by Molmil
Crystal structure of PI3Kalpha selective Inhibitor PF-06843195
分子名称: 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E.
登録日2020-09-21
公開日2021-01-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021

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件を2024-06-12に公開中

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