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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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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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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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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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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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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6L54
 | | Structure of SMG189 | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein SMG8, ... | | Authors: | Xu, Y, Qi, Y. | | Deposit date: | 2019-10-22 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
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6L53
 | | Structure of SMG1 | | Descriptor: | Serine/threonine-protein kinase SMG1 | | Authors: | Xu, Y, Qi, Y. | | Deposit date: | 2019-10-22 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
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6TBM
 | | Structure of SAGA bound to TBP, including Spt8 and DUB | | Descriptor: | Polyubiquitin-B, SAGA-associated factor 11, Spt20, ... | | Authors: | Papai, G, Frechard, A, Kolesnikova, O, Crucifix, C, Schultz, P, Ben-Shem, A. | | Deposit date: | 2019-11-01 | | Release date: | 2020-02-12 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Structure of SAGA and mechanism of TBP deposition on gene promoters.
Nature, 577, 2020
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6TB4
 | | Structure of SAGA bound to TBP | | Descriptor: | SAGA-associated factor 73 (Sgf73), Spt20, Subunit (17 kDa) of TFIID and SAGA complexes, ... | | Authors: | Papai, G, Frechard, A, Kolesnikova, O, Crucifix, C, Schultz, P, Ben-Shem, A. | | Deposit date: | 2019-10-31 | | Release date: | 2020-01-29 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of SAGA and mechanism of TBP deposition on gene promoters.
Nature, 577, 2020
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6T9J
 | | SAGA Tra1 module | | Descriptor: | Transcription factor SPT20, Transcription initiation factor TFIID subunit 12, Transcription-associated protein 1 | | Authors: | Wang, H, Cheung, A, Cramer, P. | | Deposit date: | 2019-10-28 | | Release date: | 2020-01-29 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the transcription coactivator SAGA.
Nature, 577, 2020
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6T9I
 | | cryo-EM structure of transcription coactivator SAGA | | Descriptor: | Protein SPT3, SAGA-associated factor 73, Transcription factor SPT20, ... | | Authors: | Wang, H, Cheung, A, Cramer, P. | | Deposit date: | 2019-10-28 | | Release date: | 2020-01-29 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the transcription coactivator SAGA.
Nature, 577, 2020
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6T3B
 | | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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6T3C
 | | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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6TNS
 | | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | | Descriptor: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | Deposit date: | 2019-12-10 | | Release date: | 2020-01-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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6TNR
 | | PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | | Authors: | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | Deposit date: | 2019-12-10 | | Release date: | 2020-01-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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6K9K
 | | Monomeric human ATM (Ataxia telangiectasia mutated) kinase | | Descriptor: | Serine-protein kinase ATM | | Authors: | Xiao, J, Liu, M, Qi, Y, Yuriy, C, Zhang, P, Xu, Y. | | Deposit date: | 2019-06-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (7.82 Å) | | Cite: | Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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6K9L
 | | 4.27 Angstrom resolution cryo-EM structure of human dimeric ATM kinase | | Descriptor: | Serine-protein kinase ATM | | Authors: | Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y. | | Deposit date: | 2019-06-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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6SYT
 | | Structure of the SMG1-SMG8-SMG9 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gat, Y, Schuller, J.M, Conti, E. | | Deposit date: | 2019-10-01 | | Release date: | 2019-12-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | InsP6binding to PIKK kinases revealed by the cryo-EM structure of an SMG1-SMG8-SMG9 complex.
Nat.Struct.Mol.Biol., 26, 2019
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6OCO
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6OCU
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6S8F
 | | Structure of nucleotide-bound Tel1/ATM | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1 | | Authors: | Yates, L.A, Williams, R.M, Ayala, R, Zhang, X. | | Deposit date: | 2019-07-09 | | Release date: | 2019-10-30 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM Structure of Nucleotide-Bound Tel1ATMUnravels the Molecular Basis of Inhibition and Structural Rationale for Disease-Associated Mutations.
Structure, 28, 2020
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6SKY
 | | FAT and kinase domain of CtTel1 | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | | Deposit date: | 2019-08-16 | | Release date: | 2019-10-30 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
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6SL0
 | | Complete CtTel1 dimer with C2 symmetry | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | | Deposit date: | 2019-08-16 | | Release date: | 2019-10-30 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
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6SL1
 | | Structure of the open conformation of CtTel1 | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | | Deposit date: | 2019-08-16 | | Release date: | 2019-10-30 | | Last modified: | 2020-05-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
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