7K10
 
 | |
7K6O
 | | Crystal structure of PI3Kalpha inhibitor 10-5429 | | Descriptor: | (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 | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
|
|
7K19
 | | CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex I) | | Descriptor: | 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 | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
|
|
7K1J
 | | CryoEM structure of inactivated-form DNA-PK (Complex III) | | 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: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
|
|
7K71
 | | Crystal structure of PI3Kalpha inhibitor 4-0686 | | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
|
|
7K6N
 | | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | | Descriptor: | 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 | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
|
|
7K1N
 | | CryoEM structure of inactivated-form DNA-PK (Complex V) | | Descriptor: | 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, ... | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-08 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
|
|
7K1B
 | | CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex II) | | Descriptor: | 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 | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
|
|
7K1K
 | | CryoEM structure of inactivated-form DNA-PK (Complex IV) | | 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: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
|
|
7K6M
 | | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | | Descriptor: | 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 | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
|
|
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
|
|
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
|
|
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
|
|
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: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
|
|
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: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
|
|
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: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
|
|
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: | 2021-01-20 | | 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
|
|
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: | 2021-01-20 | | 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
|
|
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: | 2021-01-20 | | 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
|
|
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: | 2021-01-20 | | 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
|
|
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: | 2021-01-20 | | 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
|
|
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: | 2021-01-20 | | 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
|
|
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: | 2021-01-20 | | 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
|
|
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
|
|
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
|
|
