8V8V
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gunn, R.J, Lawson, J.D. | 登録日 | 2023-12-06 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
|
|
8W9B
| CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | 分子名称: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Huang, X, Ren, X, Zhong, W. | 登録日 | 2023-09-05 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 2024
|
|
4Z32
| |
3HHM
| 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
|
|
3HIZ
| 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
|
|
4ZOP
| 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
|
|
4Y5W
| 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
|
|
5BK8
| 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
|
|
5BO4
| Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals | 分子名称: | Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2 | 著者 | Gadd, M.S, Bulatov, E, Ciulli, A. | 登録日 | 2015-05-27 | 公開日 | 2015-07-08 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases. Plos One, 10, 2015
|
|
1XA6
| 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
|
|
1G83
| CRYSTAL STRUCTURE OF FYN SH3-SH2 | 分子名称: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FYN | 著者 | Arold, S.T, Ulmer, T.S, Mulhern, T.D, Werner, J.M, Ladbury, J.E, Campbell, I.D, Noble, M.E.M. | 登録日 | 2000-11-16 | 公開日 | 2001-05-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The role of the Src homology 3-Src homology 2 interface in the regulation of Src kinases. J.Biol.Chem., 276, 2001
|
|
3M7F
| 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
|
|
1YVL
| Structure of Unphosphorylated STAT1 | 分子名称: | 5-residue peptide, GOLD ION, Signal transducer and activator of transcription 1-alpha/beta | 著者 | Mao, X, Ren, Z, Parker, G.N, Sondermann, H, Pastorello, M.A, Wang, W, McMurray, J.S, Demeler, B, Darnell Jr, J.E, Chen, X. | 登録日 | 2005-02-16 | 公開日 | 2005-03-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural bases of unphosphorylated STAT1 association and receptor binding. Mol.Cell, 17, 2005
|
|
1GRI
| GRB2 | 分子名称: | GROWTH FACTOR BOUND PROTEIN 2 | 著者 | Maignan, S, Arnoux, B, Ducruix, A. | 登録日 | 1995-02-28 | 公開日 | 1996-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal structure of the mammalian Grb2 adaptor. Science, 268, 1995
|
|
2ABL
| |
3NHN
| 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
|
|
1Y57
| 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
| 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
|
|
5H09
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-ethyl2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoate | 分子名称: | Tyrosine-protein kinase HCK, ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0B
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoic acid | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0H
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0G
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0E
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
7RCT
| |
5IBS
| Structure of E76Q, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2 | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | 登録日 | 2016-02-22 | 公開日 | 2016-04-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2. Biochemistry, 55, 2016
|
|