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5XGH
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BU of 5xgh by Molmil
Crystal structure of PI3K complex with an inhibitor
分子名称: 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Song, K, Yang, X, Zhao, Y, Jian, Z.
登録日2017-04-13
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
5FI4
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BU of 5fi4 by Molmil
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
5X7B
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BU of 5x7b by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_C peptide complex
分子名称: CagA, Tyrosine-protein phosphatase non-receptor type 11
著者Senda, M, Senda, T.
登録日2017-02-24
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017
4E93
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BU of 4e93 by Molmil
Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with TAE684
分子名称: 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, Tyrosine-protein kinase Fes/Fps
著者Filippakopoulos, P, Salah, E, Miduturu, C.V, Fedorov, O, Cooper, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-03-20
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Small-Molecule Inhibitors of the c-Fes Protein-Tyrosine Kinase.
Chem.Biol., 19, 2012
4DGX
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BU of 4dgx by Molmil
LEOPARD Syndrome-Associated SHP2/Y279C mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
登録日2012-01-27
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
1RQQ
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BU of 1rqq by Molmil
Crystal Structure of the Insulin Receptor Kinase in Complex with the SH2 Domain of APS
分子名称: BISUBSTRATE INHIBITOR, Insulin receptor, MANGANESE (II) ION, ...
著者Hu, J, Liu, J, Ghirlando, R, Saltiel, A.R, Hubbard, S.R.
登録日2003-12-06
公開日2003-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for recruitment of the adaptor protein APS to the activated insulin receptor.
Mol.Cell, 12, 2003
4H34
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BU of 4h34 by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-13
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
4FL3
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Structural and Biophysical Characterization of the Syk Activation Switch
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK
著者Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A.
登録日2012-06-14
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
4GWF
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BU of 4gwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-03
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
TO BE PUBLISHED
4H1O
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BU of 4h1o by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
分子名称: 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-11
公開日2013-09-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
4FL2
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BU of 4fl2 by Molmil
Structural and Biophysical Characterization of the Syk Activation Switch
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK
著者Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A.
登録日2012-06-14
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
4E68
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BU of 4e68 by Molmil
Unphosphorylated STAT3B core protein binding to dsDNA
分子名称: DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3
著者Collie, G.W, Parkinson, G.N, Shah, R.
登録日2012-03-15
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.585 Å)
主引用文献Observation of unphosphorylated STAT3 core protein binding to target dsDNA by PEMSA and X-ray crystallography.
Febs Lett., 587, 2013
1TCE
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BU of 1tce by Molmil
SOLUTION NMR STRUCTURE OF THE SHC SH2 DOMAIN COMPLEXED WITH A TYROSINE-PHOSPHORYLATED PEPTIDE FROM THE T-CELL RECEPTOR, MINIMIZED AVERAGE STRUCTURE
分子名称: PHOSPHOPEPTIDE OF THE ZETA CHAIN OF T CELL RECEPTOR, SHC
著者Zhou, M.-M, Meadows, R.P, Logan, T.M, Yoon, H.S, Wade, W.R, Ravichandran, K.S, Burakoff, S.J, Feisk, S.W.
登録日1996-03-27
公開日1997-05-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of the Shc SH2 domain complexed with a tyrosine-phosphorylated peptide from the T-cell receptor.
Proc.Natl.Acad.Sci.USA, 92, 1995
4GL9
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BU of 4gl9 by Molmil
Crystal structure of inhibitory protein SOCS3 in complex with JAK2 kinase domain and fragment of GP130 intracellular domain
分子名称: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Interleukin-6 receptor subunit beta, PHOSPHATE ION, ...
著者Kershaw, N.J, Murphy, J.M, Laktyushin, A, Nicola, N.A, Babon, J.J.
登録日2012-08-14
公開日2013-03-06
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献SOCS3 binds specific receptor-JAK complexes to control cytokine signaling by direct kinase inhibition.
Nat.Struct.Mol.Biol., 20, 2013
1UUS
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BU of 1uus by Molmil
Structure of an activated Dictyostelium STAT in its DNA-unbound form
分子名称: STAT PROTEIN
著者Soler-Lopez, M, Petosa, C, Fukuzawa, M, Ravelli, R, Williams, J.G, Muller, C.W.
登録日2004-01-09
公開日2004-03-26
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of an Activated Dictyostelium Stat in its DNA-Unbound Form
Mol.Cell, 13, 2004
1JU5
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Ternary complex of an Crk SH2 domain, Crk-derived phophopeptide, and Abl SH3 domain by NMR spectroscopy
分子名称: Abl, Crk
著者Donaldson, L.W, Pawson, T, Kay, L.E, Forman-Kay, J.D.
登録日2001-08-23
公開日2002-11-06
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structure of a regulatory complex involving the Abl SH3 domain, the Crk SH2 domain, and a Crk-derived phosphopeptide
Proc.Natl.Acad.Sci.USA, 99, 2002
1K9A
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BU of 1k9a by Molmil
Crystal structure analysis of full-length carboxyl-terminal Src kinase at 2.5 A resolution
分子名称: Carboxyl-terminal Src kinase
著者Ogawa, A, Takayama, Y, Nagata, A, Chong, K.T, Takeuchi, S, Sakai, H, Nakagawa, A, Nada, S, Okada, M, Tsukihara, T.
登録日2001-10-28
公開日2002-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the carboxyl-terminal Src kinase, Csk.
J.Biol.Chem., 277, 2002
1KSW
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BU of 1ksw by Molmil
Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP
分子名称: N6-BENZYL ADENOSINE-5'-DIPHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Witucki, L.A, Huang, X, Shah, K, Liu, Y, Kyin, S, Eck, M.J, Shokat, K.M.
登録日2002-01-14
公開日2002-02-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mutant tyrosine kinases with unnatural nucleotide specificity retain the structure and phospho-acceptor specificity of the wild-type enzyme.
Chem.Biol., 9, 2002
3VRZ
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BU of 3vrz by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
分子名称: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.218 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS7
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BU of 3vs7 by Molmil
Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
分子名称: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Honda, K, Niwa, H, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS1
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BU of 3vs1 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
分子名称: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS4
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Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS0
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Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
分子名称: CALCIUM ION, CHLORIDE ION, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide, ...
著者Kuratani, M, Honda, K, Tomabechi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.934 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS3
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Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
著者Kuratani, M, Tomaebchi, Y, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS6
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Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
分子名称: CALCIUM ION, CHLORIDE ION, Tyrosine-protein kinase HCK, ...
著者Kuratani, M, Honda, K, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S.
登録日2012-04-21
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.373 Å)
主引用文献A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013

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