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4G11
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BU of 4g11 by Molmil
X-ray structure of PI3K-gamma bound to a 4-(morpholin-4-yl)- (6-oxo-1,6-dihydropyrimidin-2-yl)amide inhibitor
分子名称: 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Morales, R.
登録日2012-07-10
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3K beta inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
8SOD
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BU of 8sod by Molmil
Phosphoinositide phosphate 3 kinase gamma bound with ADP and two Gbetagamma subunits in State 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Chen, C.-L, Tesmer, J.J.G.
登録日2023-04-28
公開日2024-04-03
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma.
Nat.Struct.Mol.Biol., 31, 2024
6SKZ
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BU of 6skz by Molmil
Structure of the closed conformation of CtTel1
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
著者Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
登録日2019-08-16
公開日2019-10-30
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
4WAG
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BU of 4wag by Molmil
Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor
分子名称: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
著者Chalupska, D, Boura, E.
登録日2014-08-29
公開日2015-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.407 Å)
主引用文献Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015
5SWP
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BU of 5swp by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 6 and 24
分子名称: 2-methylcyclohexane-1,3-dione, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2016-08-08
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
7PE7
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BU of 7pe7 by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 2, overall refinement
分子名称: ACETYL GROUP, DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-15
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
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
5SXJ
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BU of 5sxj by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 29
分子名称: BENZHYDROXAMIC ACID, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2016-08-09
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
6L54
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BU of 6l54 by Molmil
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
4JT5
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BU of 4jt5 by Molmil
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
6SYT
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BU of 6syt by Molmil
Structure of the SMG1-SMG8-SMG9 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Gat, Y, Schuller, J.M, Conti, E.
登録日2019-10-01
公開日2019-12-11
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献InsP6binding to PIKK kinases revealed by the cryo-EM structure of an SMG1-SMG8-SMG9 complex.
Nat.Struct.Mol.Biol., 26, 2019
5SXF
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BU of 5sxf by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 9
分子名称: HYDROXYPHENYL PROPIONIC ACID, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2016-08-09
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SX8
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BU of 5sx8 by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 12 and 15
分子名称: 6-methylpyridin-2-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2016-08-09
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5FBW
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BU of 5fbw by Molmil
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
5SWT
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BU of 5swt by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 17 and 27
分子名称: 3-fluoro-4-methoxyaniline, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2016-08-08
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXD
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BU of 5sxd by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 22
分子名称: 2-methoxybenzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2016-08-09
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
4A55
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BU of 4a55 by Molmil
Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM, PIK-108
著者Hon, W.-C, Berndt, A, Williams, R.L.
登録日2011-10-24
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Regulation of Lipid Binding Underlies the Activation Mechanism of Class Ia Pi3-Kinases.
Oncogene, 31, 2012
2X6K
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BU of 2x6k by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PI-103
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, PHOSPHOTIDYLINOSITOL 3 KINASE 59F, SULFATE ION
著者Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
登録日2010-02-17
公開日2010-04-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
2X6J
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BU of 2x6j by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PIK-93
分子名称: N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F
著者Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
登録日2010-02-17
公開日2010-04-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
4JSX
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BU of 4jsx by Molmil
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
5SWO
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BU of 5swo by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 4 and 19
分子名称: 2-methyl-5-nitro-1H-indole, 4-methyl-3-nitropyridin-2-amine, CHLORIDE ION, ...
著者Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
登録日2016-08-08
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
8SOC
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BU of 8soc by Molmil
Phosphoinositide phosphate 3 kinase gamma bound with ADP and Gbetagamma
分子名称: ADENOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Chen, C.-L, Tesmer, J.J.G.
登録日2023-04-28
公開日2024-04-03
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma.
Nat.Struct.Mol.Biol., 31, 2024
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
8QRI
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BU of 8qri by Molmil
TRRAP and EP400 in the human Tip60 complex
分子名称: E1A-binding protein p400, Transformation/transcription domain-associated protein
著者Li, C, Smirnova, E, Schnitzler, C, Crucifix, C, Concordet, J.P, Brion, A, Poterszman, A, SChultz, P, Papai, G, Ben-Shem, A.
登録日2023-10-09
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of human TIP60-C histone exchange and acetyltransferase complex
Nature, 2024
4OVV
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BU of 4ovv by Molmil
Crystal Structure of PI3Kalpha in complex with diC4-PIP2
分子名称: (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Gabelli, S.B, Vogelstein, B, Miller, M, Amzel, L.M.
登録日2014-01-14
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014

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