6OCU
 
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | | 分子名称: | 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 | | 著者 | Lesburg, C.A, Augustin, M.A. | | 登録日 | 2019-03-25 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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3T8M
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8OXP
 | | ATM(Q2971A) in complex with Mg AMP-PNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ... | | 著者 | Howes, A.C, Perisic, O, Williams, R.L. | | 登録日 | 2023-05-02 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
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8OXQ
 | | ATM(Q2971A) dimeric C-terminal region in complex with Mg AMP-PNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ... | | 著者 | Howes, A.C, Perisic, O, Williams, R.L. | | 登録日 | 2023-05-02 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
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8OXM
 | | ATM(Q2971A) activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide | | 分子名称: | Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Howes, A.C, Perisic, O, Williams, R.L. | | 登録日 | 2023-05-02 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
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8OXO
 | | ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide | | 分子名称: | Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Howes, A.C, Perisic, O, Williams, R.L. | | 登録日 | 2023-05-02 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
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1E8W
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | 著者 | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | 登録日 | 2000-10-03 | | 公開日 | 2000-11-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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 | | 分子名称: | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | 著者 | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | 登録日 | 2000-10-03 | | 公開日 | 2000-11-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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 | | 分子名称: | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT, STAUROSPORINE | | 著者 | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | 登録日 | 2000-10-03 | | 公開日 | 2000-11-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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 | | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | | 著者 | Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L. | | 登録日 | 2000-10-03 | | 公開日 | 2000-11-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
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6EZ6
 | | PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate | | 著者 | Convery, M.A, Campos, S, Dalton, S.E. | | 登録日 | 2017-11-14 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
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3S2A
 | | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | | 分子名称: | 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 | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2011-05-16 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | 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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8OW2
 | | Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938 | | 分子名称: | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | 登録日 | 2023-04-26 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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6EYZ
 | | PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | | 分子名称: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Campos, S, Dalton, S.E. | | 登録日 | 2017-11-13 | | 公開日 | 2017-12-20 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
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6FH5
 | | PI3Kg IN COMPLEX WITH Compound 7 | | 分子名称: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Petersen, J, Barlaam, B. | | 登録日 | 2018-01-12 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors
To Be Published
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5AE8
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | | 分子名称: | 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | 登録日 | 2015-08-26 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
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5AE9
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | | 分子名称: | N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | 登録日 | 2015-08-26 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
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5ANL
 | | Crystal structure of VPS34 in complex with (2S)-8-((3R)-3- Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3, 4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one, processed with the CrystalDirect automated mounting and cryo-cooling technology | | 分子名称: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | 登録日 | 2015-09-07 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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6JXA
 | | Tel1 kinase compact monomer | | 分子名称: | Serine/threonine-protein kinase TEL1 | | 著者 | Xin, J. | | 登録日 | 2019-04-23 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural basis of allosteric regulation of Tel1/ATM kinase.
Cell Res., 29, 2019
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6K9L
 | | 4.27 Angstrom resolution cryo-EM structure of human dimeric ATM kinase | | 分子名称: | Serine-protein kinase ATM | | 著者 | Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y. | | 登録日 | 2019-06-16 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.27 Å) | | 主引用文献 | Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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6L54
 | | Structure of SMG189 | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein SMG8, ... | | 著者 | Xu, Y, Qi, Y. | | 登録日 | 2019-10-22 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
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6L53
 | | Structure of SMG1 | | 分子名称: | Serine/threonine-protein kinase SMG1 | | 著者 | Xu, Y, Qi, Y. | | 登録日 | 2019-10-22 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
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7TYR
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6AUD
 | | PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine | | 分子名称: | 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Murray, J.M, Ultsch, M. | | 登録日 | 2017-08-31 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | | 主引用文献 | Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
ACS Med Chem Lett, 8, 2017
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3CSF
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