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6MD9
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
分子名称: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
4XEY
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Crystal structure of an SH2-kinase domain construct of c-Abl tyrosine kinase
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase ABL1
著者Lorenz, S, Deng, P, Kuriyan, J.
登録日2014-12-25
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.891 Å)
主引用文献Crystal structure of an SH2-kinase construct of c-Abl and effect of the SH2 domain on kinase activity.
Biochem.J., 468, 2015
1UUR
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Structure of an activated Dictyostelium STAT in its DNA-unbound form
分子名称: STATA 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2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of an Activated Dictyostelium Stat in its DNA-Unbound Form
Mol.Cell, 13, 2004
4XZ1
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ZAP-70-tSH2:Compound-B adduct
分子名称: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide
著者Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R.
登録日2015-02-03
公開日2015-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
1X27
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Crystal Structure of Lck SH2-SH3 with SH2 binding site of p130Cas
分子名称: CRK-associated substrate, Proto-oncogene tyrosine-protein kinase LCK, SODIUM ION
著者Nasertorabi, F, Tars, K, Becherer, K, Kodandapani, R, Liljas, L, Vuori, K, Ely, K.R.
登録日2005-04-20
公開日2006-02-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for regulation of Src by the docking protein p130Cas
J.MOL.RECOG., 19, 2006
4ZOP
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Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor
分子名称: (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A.
登録日2015-05-06
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Co-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitorCo-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor
To Be Published
4Y5U
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Transcription factor
分子名称: NICKEL (II) ION, Signal transducer and activator of transcription 6
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-02-12
公開日2016-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
5XGJ
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Crystal structure of PI3K complex with an inhibitor
分子名称: 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
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Crystal structure of PI3K complex with an inhibitor
To Be Published
1XA6
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Crystal Structure of the Human Beta2-Chimaerin
分子名称: Beta2-chimaerin, ZINC ION
著者Canagarajah, B, Leskow, F.C, Ho, J.Y, Mischak, H, Saidi, L.F, Kazanietz, M.G, Hurley, J.H.
登録日2004-08-25
公開日2004-11-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural mechanism for lipid activation of the Rac-specific GAP, beta2-chimaerin.
Cell(Cambridge,Mass.), 119, 2004
5XGH
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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
5X7B
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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
5UKJ
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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
5UK8
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The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR
分子名称: (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Mamo, M, Elling, R.A.
登録日2017-01-20
公開日2017-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 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
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
分子名称: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
著者Li, J, Niu, F, Ouyang, S, Liu, Z.
登録日2015-02-12
公開日2016-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
3M7F
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Crystal structure of the Nedd4 C2/Grb10 SH2 complex
分子名称: E3 ubiquitin-protein ligase NEDD4, Growth factor receptor-bound protein 10
著者Huang, Q, Szebenyi, M.
登録日2010-03-16
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Interaction between the Growth Factor-binding Protein GRB10 and the E3 Ubiquitin Ligase NEDD4.
J.Biol.Chem., 285, 2010
4Z32
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Crystal Structure of the FERM-SH2 Domains of Jak2
分子名称: Tyrosine-protein kinase JAK2
著者McNally, R, Eck, M.J.
登録日2015-03-30
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystal Structure of the FERM-SH2 Module of Human Jak2.
Plos One, 11, 2016
4YKN
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Pi3K alpha lipid kinase with Active Site Inhibitor
分子名称: 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform fusion protein
著者Elkins, P.A.
登録日2015-03-04
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Acs Med.Chem.Lett., 6, 2015
5XGI
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BU of 5xgi by Molmil
Crystal structure of PI3K complex with an inhibitor
分子名称: 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, HEXAETHYLENE GLYCOL, ...
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 (2.56 Å)
主引用文献Crystal structure of PI3K complex with an inhibitor
To Be Published
1UUS
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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
3NHN
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Crystal structure of the SRC-family kinase HCK SH3-SH2-linker regulatory region
分子名称: Tyrosine-protein kinase HCK
著者Alvarado, J.J, Betts, L, Moroco, J.A, Smithgall, T.E, Yeh, J.I.
登録日2010-06-14
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal Structure of the Src Family Kinase Hck SH3-SH2 Linker Regulatory Region Supports an SH3-dominant Activation Mechanism.
J.Biol.Chem., 285, 2010
5BK8
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Cancer-associated SHP2/T507K mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Zhang, Z.Y.
登録日2019-06-01
公開日2020-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2.
J.Biol.Chem., 295, 2020
1Y57
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Structure of unphosphorylated c-Src in complex with an inhibitor
分子名称: 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
著者Cowan-Jacob, S.W, Fendrich, G, Manley, P.W, Jahnke, W, Fabbro, D, Liebetanz, J, Meyer, T.
登録日2004-12-02
公開日2005-06-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The Crystal Structure of a c-Src Complex in an Active Conformation Suggests Possible Steps in c-Src Activation
Structure, 13, 2005
1Y1U
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Structure of unphosphorylated STAT5a
分子名称: Signal transducer and activator of transcription 5A
著者Neculai, D, Neculai, A.M, Verrier, S, Straub, K, Klumpp, K, Pfitzner, E, Becker, S.
登録日2004-11-19
公開日2005-10-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structure of the unphosphorylated STAT5a dimer
J.Biol.Chem., 280, 2005
7XHQ
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Small-molecule Allosteric Regulation Mechanism of SHP2
分子名称: 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Luo, Y, Zhu, J, Yu, K, Liu, B.
登録日2022-04-09
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
5XZR
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The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b
分子名称: 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Li, D, Xie, J, Zhu, J, Liu, C.
登録日2017-07-13
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment.
J. Med. Chem., 60, 2017

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