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PDB: 148 件
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
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
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
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
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
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
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
3D62
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BU of 3d62 by Molmil
Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro
分子名称: 3C-like proteinase, benzyl (2-oxopropyl)carbamate
著者Bacha, U, Barrila, J, Gabelli, S.B, Kiso, Y, Amzel, L.M, Freire, E.
登録日2008-05-18
公開日2008-07-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro).
Chem.Biol.Drug Des., 72, 2008
6MBA
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BU of 6mba by Molmil
Crystal Structure of Human Nav1.4 CTerminal Domain in Complex with apo Calmodulin
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, ...
著者Yoder, J, Gabelli, S.B, Amzel, L.M.
登録日2018-08-29
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Ca2+-dependent regulation of sodium channels NaV1.4 and NaV1.5 is controlled by the post-IQ motif.
Nat Commun, 10, 2019
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
5W6X
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BU of 5w6x by Molmil
Crystal structure of the HsNUDT16 in complex with Mg+2 and ADP-ribose
分子名称: ACETIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ...
著者Thirawatananond, P, Gabelli, S.B.
登録日2017-06-18
公開日2018-12-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5VY2
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BU of 5vy2 by Molmil
Crystal structure of the F36A mutant of HsNUDT16
分子名称: SODIUM ION, U8 snoRNA-decapping enzyme
著者Thirawatananond, P, Gabelli, S.B.
登録日2017-05-24
公開日2018-11-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
7R63
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BU of 7r63 by Molmil
Nb82, a nanobody against voltage gated sodium channels Nav1.4 and Nav1.5
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, Nanobody Nb82, ...
著者Srinivasan, L, Gabelli, S.B.
登録日2021-06-22
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of high-affinity nanobodies specific for Na V 1.4 and Na V 1.5 voltage-gated sodium channel isoforms.
J.Biol.Chem., 298, 2022
5I8U
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BU of 5i8u by Molmil
Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant
分子名称: ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B.
登録日2016-02-19
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
1MK1
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BU of 1mk1 by Molmil
Structure of the MT-ADPRase in complex with ADPR, a Nudix enzyme
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase
著者Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M.
登録日2002-08-28
公開日2003-08-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003
1MP2
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BU of 1mp2 by Molmil
Structure of MT-ADPRase (Apoenzyme), a Nudix hydrolase from Mycobacterium tuberculosis
分子名称: ADPR pyrophosphatase
著者Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M.
登録日2002-09-11
公開日2003-08-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003
1MQE
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BU of 1mqe by Molmil
Structure of the MT-ADPRase in complex with gadolidium and ADP-ribose, a Nudix enzyme
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase, GADOLINIUM ION
著者Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M.
登録日2002-09-16
公開日2003-08-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003
1MR2
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BU of 1mr2 by Molmil
Structure of the MT-ADPRase in complex with 1 Mn2+ ion and AMP-CP (a inhibitor), a nudix enzyme
分子名称: ADPR pyrophosphatase, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
著者Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M.
登録日2002-09-17
公開日2003-08-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003

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件を2024-07-17に公開中

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