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4CZ4
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HP24stab derived from the villin headpiece subdomain
分子名称: VILLIN-1
著者Hocking, H, Haese, F, Madl, T, Zacharias, M, Rief, M, Zoldak, G.
登録日2014-04-16
公開日2015-02-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A Compact Native 24-Residue Supersecondary Structure Derived from the Villin Headpiece Subdomain.
Biophys.J., 108, 2015
4DTL
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BU of 4dtl by Molmil
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mn++
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
著者Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
登録日2012-02-21
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mn++
J.Biol.Chem., 2012
4E1F
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BU of 4e1f by Molmil
Structure of a VgrG Vibrio cholerae toxin ACD domain Glu16Gln mutant in complex with ADP and Mn++
分子名称: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ...
著者Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
登録日2012-03-06
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and functional characterization of the Vibrio cholerae toxin from the VgrG/MARTX family.
J.Biol.Chem., 2012
4E1C
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BU of 4e1c by Molmil
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mg++
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
登録日2012-03-06
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure and functional characterization of the Vibrio cholerae toxin from the VgrG/MARTX family.
J.Biol.Chem., 2012
3T06
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BU of 3t06 by Molmil
Crystal Structure of the DH/PH fragment of PDZRHOGEF with N-terminal regulatory elements in complex with Human RhoA
分子名称: Rho guanine nucleotide exchange factor 11, Transforming protein RhoA
著者Bielnicki, J.A, Derewenda, U, Derewenda, Z.S.
登録日2011-07-19
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Insights into the Molecular Activation Mechanism of the RhoA-specific Guanine Nucleotide Exchange Factor, PDZRhoGEF.
J.Biol.Chem., 286, 2011
4E1D
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BU of 4e1d by Molmil
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mn++
分子名称: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ...
著者Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
登録日2012-03-06
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure and functional characterization of the Vibrio cholerae toxin from the VgrG/MARTX family.
J.Biol.Chem., 2012
2LHU
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BU of 2lhu by Molmil
Structural Insight into the Unique Cardiac Myosin Binding Protein-C Motif: A Partially Folded Domain
分子名称: Mybpc3 protein
著者Howarth, J.W, Rosevear, P.R, Ramisetti, S, Nolan, K, Sadayappan, S.
登録日2011-08-18
公開日2012-01-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Insight into Unique Cardiac Myosin-binding Protein-C Motif: A PARTIALLY FOLDED DOMAIN.
J.Biol.Chem., 287, 2012
7YWX
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BU of 7ywx by Molmil
Structure of the human CCAN CENP-A alpha-satellite complex
分子名称: Centromere protein C, Centromere protein H, Centromere protein I, ...
著者Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D.
登録日2022-02-14
公開日2022-05-18
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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
8DCP
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BU of 8dcp by Molmil
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
8DD4
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BU of 8dd4 by Molmil
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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BU of 8dd8 by Molmil
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
8DCX
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BU of 8dcx by Molmil
PI 3-kinase alpha with nanobody 3-159
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 (2.8 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
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
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
8AF0
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BU of 8af0 by Molmil
Crystal structure of human angiogenin and RNA duplex
分子名称: Angiogenin, GLYCEROL, RNA (5'-R(*GP*CP*CP*CP*GP*CP*CP*UP*GP*UP*CP*AP*CP*GP*CP*GP*GP*GP*C)-3')
著者Sievers, K, Ficner, R.
登録日2022-07-15
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of angiogenin dimer bound to double-stranded RNA.
Acta Crystallogr.,Sect.F, 78, 2022
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
5UL1
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BU of 5ul1 by Molmil
The co-structure of 3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide and a rationally designed PI3K-alpha mutant that mimics ATR
分子名称: 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide, 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 (3 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
5UKJ
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BU of 5ukj by Molmil
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

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