PDB: 594 件ウェブページステータス検索Chemie searchBIRD

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7JVM	Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155 分子名称: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 著者 Fodor, M, Stams, T. 登録日 2020-08-21 公開日 2020-09-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.166 Å) 主引用文献 Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
8ILR	Cryo-EM structure of PI3Kalpha in complex with compound 16 分子名称: N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 著者 Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. 登録日 2023-03-04 公開日 2023-08-30 実験手法 ELECTRON MICROSCOPY (3.05 Å) 主引用文献 Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
8ILS	Cryo-EM structure of PI3Kalpha in complex with compound 17 分子名称: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 著者 Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. 登録日 2023-03-04 公開日 2023-09-13 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
4XI2	Crystal Structure of an auto-inhibited form of Bruton's Tryrosine Kinase 分子名称: GOLD ION, Tyrosine-protein kinase BTK 著者 Vogan, E.M, Harrison, S.C. 登録日 2015-01-06 公開日 2015-02-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate. Elife, 4, 2015
4XEY	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
3CD3	Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide 分子名称: CHLORIDE ION, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ... 著者 Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2008-02-26 公開日 2008-03-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
3CBL	Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide 分子名称: Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, Synthetic peptide 著者 Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2008-02-22 公開日 2008-03-04 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
6F3F	Autoinhibited Src kinase bound to ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Tyrosine-protein kinase 著者 von Raussendorf, F, Leonard, T.A. 登録日 2017-11-28 公開日 2017-12-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.41795778 Å) 主引用文献 A switch in nucleotide affinity governs activation of the Src and Tec family kinases. Sci Rep, 7, 2017
6MD9	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
6MBZ	Structure of Transcription Factor 分子名称: Signal transducer and activator of transcription 5B 著者 Seo, H.-S, Dhe-Paganon, S. 登録日 2018-08-30 公開日 2019-06-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.21 Å) 主引用文献 Structural and functional consequences of the STAT5BN642Hdriver mutation. Nat Commun, 10, 2019
6MDA	Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4 分子名称: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, 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 (2.21 Å) 主引用文献 Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors. J. Med. Chem., 62, 2019
8ILV	Cryo-EM structure of PI3Kalpha in complex with compound 18 分子名称: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 著者 Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. 登録日 2023-03-04 公開日 2023-09-06 実験手法 ELECTRON MICROSCOPY (3.19 Å) 主引用文献 Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
5XGJ	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
1FMK	CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC 分子名称: TYROSINE-PROTEIN KINASE SRC 著者 Xu, W, Harrison, S.C, Eck, M.J. 登録日 1997-01-24 公開日 1997-08-20 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Three-dimensional structure of the tyrosine kinase c-Src. Nature, 385, 1997
5XGH	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	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
6PBC	Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations 分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma,1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, SODIUM ION 著者 Hajicek, N, Sondek, J. 登録日 2019-06-13 公開日 2020-01-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations. Elife, 8, 2019
6E2P	Structure of human JAK2 FERM/SH2 in complex with Leptin Receptor 分子名称: Leptin receptor, SULFATE ION, Tyrosine-protein kinase JAK2 著者 Ferrao, R, Lupardus, P.J, Wallweber, H.J.A. 登録日 2018-07-11 公開日 2018-08-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.83 Å) 主引用文献 Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation. Elife, 7, 2018
6E2Q	Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor 分子名称: Erythropoietin receptor, Tyrosine-protein kinase JAK2 著者 Ferrao, R, Lupardus, P.J. 登録日 2018-07-11 公開日 2018-08-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation. Elife, 7, 2018
4GL9	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
4H34	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
2Y3A	Crystal structure of p110beta in complex with icSH2 of p85beta and the drug GDC-0941 分子名称: 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT BETA ISOFORM 著者 Zhang, X, Vadas, O, Perisic, O, Williams, R.L. 登録日 2010-12-20 公開日 2011-03-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure of Lipid Kinase P110Beta-P85Beta Elucidates an Unusual Sh2-Domain-Mediated Inhibitory Mechanism. Mol.Cell, 41, 2011
4GWF	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
3CWG	Unphosphorylated mouse STAT3 core fragment 分子名称: Signal transducer and activator of transcription 3 著者 Ren, Z, Mao, X, Mertens, C, Krishnaraj, R, Qin, J, Mandal, P.K, Romanowshi, M.J, McMurray, J.S. 登録日 2008-04-21 公開日 2008-07-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Crystal structure of unphosphorylated STAT3 core fragment. Biochem.Biophys.Res.Commun., 374, 2008
6TLC	Unphosphorylated human STAT3 in complex with MS3-6 monobody 分子名称: Monobody, Signal transducer and activator of transcription 3 著者 La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O. 登録日 2019-12-02 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains. Nat Commun, 11, 2020

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