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PDB: 480 件
5UK8
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The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR
分子名称: (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Mamo, M, Elling, R.A.
登録日2017-01-20
公開日2017-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
8AM0
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Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib)
分子名称: (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Goncalves, M, Johnson, J.L, Roewer, K.M.
登録日2022-08-02
公開日2023-12-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Epinephrine inhibits PI3K alpha via the Hippo kinases.
Cell Rep, 42, 2023
5UKJ
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The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR
分子名称: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A, Mamo, M.
登録日2017-01-23
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
8ILV
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BU of 8ilv by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 18
分子名称: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2023-03-04
公開日2023-09-06
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
5WBU
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BU of 5wbu by Molmil
Crystal structure of mTOR(deltaN)-mLST8-PRAS40(alpha-helix & beta-strand) complex
分子名称: Proline-rich AKT1 substrate 1, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
著者Pavletich, N.P, Yang, H.
登録日2017-06-29
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBY
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Crystal structure of mTOR(deltaN)-mLST8-PRAS40(beta-strand) complex
分子名称: Proline-rich AKT1 substrate 1, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
著者Pavletich, N.P, Yang, H.
登録日2017-06-29
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5C46
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Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta in complex with GTP gamma S loaded Rab11
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Phosphatidylinositol 4-kinase beta, ...
著者Burke, J.E, Fowler, M.L.
登録日2015-06-17
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
5C4G
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Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide, ...
著者Burke, J.E, Fowler, M.L.
登録日2015-06-18
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
4JT5
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mTORdeltaN-mLST8-pp242 complex
分子名称: 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-03
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L2Y
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Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
分子名称: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4JSX
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structure of mTORDeltaN-mLST8-Torin2 complex
分子名称: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
5DFZ
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BU of 5dfz by Molmil
Structure of Vps34 complex II from S. cerevisiae.
分子名称: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
著者Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
登録日2015-08-27
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
4L23
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Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-04
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4JT6
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BU of 4jt6 by Molmil
structure of mTORDeltaN-mLST8-PI-103 complex
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, mLST8, mTOR
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JSV
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mTOR kinase structure, mechanism and regulation.
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ...
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JPS
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BU of 4jps by Molmil
Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors
分子名称: (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, ...
著者Knapp, M.S, Elling, R.A.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Bioorg.Med.Chem.Lett., 23, 2013
4JSN
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structure of mTORdeltaN-mLST8 complex
分子名称: Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
著者Pavletich, N.P.
登録日2013-03-22
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JSP
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BU of 4jsp by Molmil
structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ...
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
5EUQ
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Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
分子名称: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
著者Burke, J.E, Fowler, M.L.
登録日2015-11-19
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
5FBW
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PI4KB in complex with Rab11 and the MI369 Inhibitor
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
著者Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.487 Å)
主引用文献PI4KB in complex with Rab11 and the MI369 Inhibitor
To Be Published
5FI4
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Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model
分子名称: GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S.
登録日2015-12-22
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
8DD4
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PI 3-kinase alpha with nanobody 3-142
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD8
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PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DCP
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PI 3-kinase alpha with nanobody 3-126
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-06-17
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022

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