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3HIZ
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BU of 3hiz by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
登録日2009-05-20
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HHM
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BU of 3hhm by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
分子名称: (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-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
登録日2009-05-15
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
4OVU
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BU of 4ovu by Molmil
Crystal Structure of p110alpha in complex with niSH2 of p85alpha
分子名称: 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2014-01-14
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
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
5SW8
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BU of 5sw8 by Molmil
Crystal structure of PI3Kalpha in complex with fragments 7 and 11
分子名称: 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
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 (3.3 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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
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
5SXB
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BU of 5sxb by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 23
分子名称: ISATOIC ANHYDRIDE, 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 (3.3 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SWR
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BU of 5swr by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 20 and 26
分子名称: 2-HYDROXYBENZOIC ACID, 6-hydroxy-3,4-dihydronaphthalen-1(2H)-one, 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 (3.31 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXA
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BU of 5sxa by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 10
分子名称: 2-(trifluoromethyl)-1H-benzimidazol-5-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 (3.35 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXI
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BU of 5sxi by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 13
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, trans-cyclohexane-1,4-diol
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 (3.4 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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
5SWG
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BU of 5swg by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 5 and 21
分子名称: 1H-benzimidazol-2-amine, CATECHOL, 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 (3.11 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SX9
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BU of 5sx9 by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 14
分子名称: 4,6-dimethylpyridin-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 (3.52 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXE
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BU of 5sxe by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 19 and 28
分子名称: 3-aminobenzonitrile, 4-bromo-1H-imidazole, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
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 (3.51 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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
5SXK
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BU of 5sxk by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 18
分子名称: 2-methylbenzene-1,3-diamine, 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 (3.55 Å)
主引用文献Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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
5SXC
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BU of 5sxc by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 8
分子名称: 5-FLUOROURACIL, 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 (3.55 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
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
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
著者Wright, K.M, Gabelli, S.B.
登録日2020-03-12
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
8DVG
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BU of 8dvg by Molmil
Structure of KRAS WT(7-16)-HLA-A*03:01
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
著者Wright, K.M, Miller, M, Gabelli, S.B.
登録日2022-07-28
公開日2023-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
2RD0
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BU of 2rd0 by Molmil
Structure of a human p110alpha/p85alpha complex
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Huang, C, Gabelli, S.B, Amzel, L.M.
登録日2007-09-20
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献The structure of a human p110alpha/p85alpha complex elucidates the effects of oncogenic PI3Kalpha mutations.
Science, 318, 2007
7STF
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BU of 7stf by Molmil
Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Wright, K.M, Gabelli, S.B, Miller, M.
登録日2021-11-12
公開日2023-05-31
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023

 

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