5L72
 
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5LUQ
 | | Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs) | | Descriptor: | C-terminal fragment of KU80 (KU80ct194), DNA-dependent protein kinase catalytic subunit,DNA-dependent Protein Kinase Catalytic Subunit,DNA-dependent protein kinase catalytic subunit | | Authors: | Sibanda, B.L, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L. | | Deposit date: | 2016-09-09 | | Release date: | 2017-02-15 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair.
Science, 355, 2017
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1E7V
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | Descriptor: | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | Authors: | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | Deposit date: | 2000-09-08 | | Release date: | 2000-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine.
Mol.Cell, 6, 2000
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1E8X
 | | STRUCTURAL INSIGHTS INTO PHOSHOINOSITIDE 3-KINASE ENZYMATIC MECHANISM AND SIGNALLING | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, LUTETIUM (III) ION, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | Authors: | Walker, E.H, Perisic, O, Ried, C, Stephens, L, Williams, R.L. | | Deposit date: | 2000-10-03 | | Release date: | 2000-10-26 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
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1E90
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | Authors: | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | Deposit date: | 2000-10-03 | | Release date: | 2000-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
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1E8W
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | Authors: | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | Deposit date: | 2000-10-03 | | Release date: | 2000-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
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1E8Z
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT, STAUROSPORINE | | Authors: | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | Deposit date: | 2000-10-03 | | Release date: | 2000-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
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1E8Y
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | Authors: | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | Deposit date: | 2000-10-03 | | Release date: | 2000-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
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1E7U
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | 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, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | Authors: | Walker, E.H, Perisic, O, Ried, C, Stephens, L, Williams, R.L. | | Deposit date: | 2000-09-08 | | Release date: | 2000-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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5NCY
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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5NP0
 | | Closed dimer of human ATM (Ataxia telangiectasia mutated) | | Descriptor: | Serine-protein kinase ATM | | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | | Deposit date: | 2017-04-13 | | Release date: | 2017-05-17 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
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3APD
 | | Crystal structure of human PI3K-gamma in complex with CH5108134 | | Descriptor: | 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | | Deposit date: | 2010-10-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
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3APC
 | | Crystal structure of human PI3K-gamma in complex with CH5132799 | | Descriptor: | 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | | Deposit date: | 2010-10-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.544 Å) | | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
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3APF
 | | Crystal structure of human PI3K-gamma in complex with CH5039699 | | Descriptor: | 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | | Deposit date: | 2010-10-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
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3CST
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3CSF
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3DBS
 | | Structure of PI3K gamma in complex with GDC0941 | | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Wiesmann, C, Ultsch, M. | | Deposit date: | 2008-06-02 | | Release date: | 2008-06-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
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3DPD
 | | Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-Dihydro-2H-benzo[1,4]oxazines | | Descriptor: | 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Ceska, T.A. | | Deposit date: | 2008-07-08 | | Release date: | 2008-08-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines
Bioorg.Med.Chem.Lett., 18, 2008
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3ENE
 | | Complex of PI3K gamma with an inhibitor | | Descriptor: | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
Nat.Chem.Biol., 4, 2008
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3R7Q
 | | Structure-based design of thienobenzoxepin inhibitors of PI3- kinase | | Descriptor: | N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Wiesmann, C. | | Deposit date: | 2011-03-22 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3R7R
 | | Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase | | Descriptor: | 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Wiesmann, C. | | Deposit date: | 2011-03-22 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3S2A
 | | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | | Descriptor: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
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3SD5
 | | Crystal Structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine | | Descriptor: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2011-06-08 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Identification and Characterization of NVP-BKM120, an Orally Available Pan-Class I PI3-Kinase Inhibitor.
Mol.Cancer Ther., 11, 2012
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3T8M
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