7OTM
 
 | | Cryo-EM structure of DNA-PKcs in complex with NU7441 | | Descriptor: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | | Deposit date: | 2021-06-10 | | Release date: | 2022-01-12 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
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7OTW
 | | DNA-PKcs in complex with 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, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | | Deposit date: | 2021-06-10 | | Release date: | 2022-01-12 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
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7OTV
 | | DNA-PKcs in complex with wortmannin | | Descriptor: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs | | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | | Deposit date: | 2021-06-10 | | Release date: | 2022-01-12 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
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7SGL
 | | DNA-PK complex of DNA end processing | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, Hairpin_1, ... | | Authors: | Liu, L, Li, J, Chen, X, Yang, W, Gellert, M. | | Deposit date: | 2021-10-06 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
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7SUD
 | | CryoEM structure of DNA-PK complex VIII | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ... | | Authors: | Chen, X, Liu, L, Gellert, M, Yang, W. | | Deposit date: | 2021-11-16 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
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7SU3
 | | CryoEM structure of DNA-PK complex VII | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*G)-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'), ... | | Authors: | Chen, X, Liu, L, Gellert, M, Yang, W. | | Deposit date: | 2021-11-16 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
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7PW4
 | | Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor | | Descriptor: | 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Langer, L.M, Conti, E. | | Deposit date: | 2021-10-06 | | Release date: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
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7PW8
 | | Human SMG1-8-9 kinase complex bound to AMPPNP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Langer, L.M, Conti, E. | | Deposit date: | 2021-10-06 | | Release date: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
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7PW6
 | | Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor - SMG1 body | | Descriptor: | 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, INOSITOL HEXAKISPHOSPHATE, Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1 | | Authors: | Langer, L.M, Conti, E. | | Deposit date: | 2021-10-06 | | Release date: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
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7PW9
 | | Human SMG1-9 kinase complex bound to AMPPNP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Langer, L.M, Conti, E. | | Deposit date: | 2021-10-06 | | Release date: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
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7PW7
 | | Human SMG1-9 kinase complex bound to a SMG1 inhibitor | | Descriptor: | 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Langer, L.M, Conti, E. | | Deposit date: | 2021-10-06 | | Release date: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8.
Elife, 10, 2021
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7PW5
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7KTS
 | | Negative stain EM structure of the human SAGA coactivator complex (TRRAP, core, splicing module) | | Descriptor: | Ataxin-7, Isoform 3 of Transcription factor SPT20 homolog, STAGA complex 65 subunit gamma, ... | | Authors: | Herbst, D.A, Esbin, M.N, Nogales, E. | | Deposit date: | 2020-11-24 | | Release date: | 2021-11-10 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (19.09 Å) | | Cite: | Structure of the human SAGA coactivator complex.
Nat.Struct.Mol.Biol., 28, 2021
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7KTR
 | | Cryo-EM structure of the human SAGA coactivator complex (TRRAP, core) | | Descriptor: | Ataxin-7, INOSITOL HEXAKISPHOSPHATE, Isoform 3 of Transcription factor SPT20 homolog, ... | | Authors: | Herbst, D.A, Esbin, M.N, Nogales, E. | | Deposit date: | 2020-11-24 | | Release date: | 2021-11-10 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structure of the human SAGA coactivator complex.
Nat.Struct.Mol.Biol., 28, 2021
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7MYO
 | | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | | Deposit date: | 2021-05-21 | | Release date: | 2021-11-10 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MYN
 | | Cryo-EM Structure of p110alpha in complex with p85alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | | Deposit date: | 2021-05-21 | | Release date: | 2021-11-10 | | Last modified: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 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: | 2022-02-09 | | 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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7POT
 | | PI3 kinase delta in complex with N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide | | Descriptor: | N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Rowland, P, Convery, M. | | Deposit date: | 2021-09-09 | | Release date: | 2021-09-29 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.391 Å) | | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
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7POR
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7POP
 | | PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide | | Descriptor: | 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Rowland, P, Convery, M. | | Deposit date: | 2021-09-09 | | Release date: | 2021-09-29 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
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7POS
 | | PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide | | Descriptor: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Rowland, P, Convery, M. | | Deposit date: | 2021-09-09 | | Release date: | 2021-09-29 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
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7PE7
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