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
7NUF	Vaccinia virus protein 018 in complex with STAT1 分子名称: ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ... 著者 Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M. 登録日 2021-03-12 公開日 2021-07-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.0004015 Å) 主引用文献 Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling. Cell Host Microbe, 30, 2022
7NXE	Structure of the Phospholipase C gamma 1 tSH2 domain in complex with a phosphorylated KSHV pK15 peptide 分子名称: Isoform 2 of 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Protein K15 著者 Ssebyatika, G, Krey, T. 登録日 2021-03-18 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Recruitment of phospholipase C gamma 1 to the non-structural membrane protein pK15 of Kaposi Sarcoma-associated herpesvirus promotes its Src-dependent phosphorylation. Plos Pathog., 17, 2021
7M6T	Crystal structure of SOCS2/ElonginB/ElonginC bound to a non-canonical peptide that enhances phospho-peptide binding 分子名称: Elongin-B, Elongin-C, Non-canonical peptide F3, ... 著者 Kershaw, N.J, Li, K, Linossi, E.M, Nicholson, S.E. 登録日 2021-03-26 公開日 2021-10-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.194 Å) 主引用文献 Discovery of an exosite on the SOCS2-SH2 domain that enhances SH2 binding to phosphorylated ligands. Nat Commun, 12, 2021
7O3D	Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly 分子名称: Transcription elongation factor SPT6 著者 Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R. 登録日 2021-04-01 公開日 2022-04-13 最終更新日 2022-06-15 実験手法 ELECTRON MICROSCOPY (3.71 Å) 主引用文献 Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly. Nucleic Acids Res., 50, 2022
7O6B	Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly 分子名称: Transcription elongation factor SPT6 著者 Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R. 登録日 2021-04-09 公開日 2022-04-20 最終更新日 2022-06-22 実験手法 ELECTRON MICROSCOPY (3.88 Å) 主引用文献 Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly. Nucleic Acids Res., 50, 2022
7EMN	The atomic structure of SHP2 E76A mutant 分子名称: Tyrosine-protein phosphatase non-receptor type 11 著者 Luo, F, Xie, J.J, Zhu, J.D, Liu, C. 登録日 2021-04-14 公開日 2021-05-05 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism. J.Biol.Chem., 296, 2021
7MP3	Grb7-SH2 domain in complex with bicyclic peptide B8 分子名称: Growth factor receptor-bound protein 7, bicyclic peptide B8 著者 Colson, R, Wilce, M.C.J, Wilce, J.A. 登録日 2021-05-04 公開日 2022-02-02 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability. Biomedicines, 10, 2022
7MPH	GRB2 SH2 Domain with Compound 7 分子名称: (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid, 1,2-ETHANEDIOL, Growth factor receptor-bound protein 2, ... 著者 Sun, L, Schonbrunn, E. 登録日 2021-05-04 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Synthesis and structural characterization of a monocarboxylic inhibitor for GRB2 SH2 domain. Bioorg.Med.Chem.Lett., 51, 2021
7MYO	Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 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, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 著者 Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. 登録日 2021-05-21 公開日 2021-11-10 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.92 Å) 主引用文献 Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
7MYN	Cryo-EM Structure of p110alpha in complex with p85alpha 分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 著者 Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. 登録日 2021-05-21 公開日 2021-11-10 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.79 Å) 主引用文献 Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
7R7I	Structure of human SHP2 in complex with compound 27 分子名称: Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol 著者 Leonard, P.G, Cross, J. 登録日 2021-06-24 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
7R75	Structure of human SHP2 in complex with compound 16 分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 著者 Leonard, P.G, Cross, J. 登録日 2021-06-24 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.83 Å) 主引用文献 Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
7R7D	Structure of human SHP2 in complex with compound 22 分子名称: 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 著者 Leonard, P.G, Cross, J. 登録日 2021-06-24 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
7R7L	Structure of human SHP2 in complex with compound 30 分子名称: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 著者 Leonard, P.G, Cross, J. 登録日 2021-06-24 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
7R8X	Crystal Structure of the LNK SH2 Domain in Complex with an EPOR pY454 Phosphopeptide 分子名称: EPOR pY454 phosphopeptide, SH2B adapter protein 3 著者 Morris, R, Kershaw, N.J, Babon, J.J. 登録日 2021-06-27 公開日 2021-10-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and functional analysis of target recognition by the lymphocyte adaptor protein LNK. Nat Commun, 12, 2021
7R8W	Crystal Structure of the LNK SH2 Domain in Complex with a JAK2 pY813 Phosphopeptide 分子名称: JAK2 pY813 phosphopeptide, SH2B adapter protein 3 著者 Morris, R, Kershaw, N.J, Babon, J.J. 登録日 2021-06-27 公開日 2021-10-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and functional analysis of target recognition by the lymphocyte adaptor protein LNK. Nat Commun, 12, 2021
7RCT	Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor RMC-4550 分子名称: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 11, {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol 著者 Seegar, T.C.M. 登録日 2021-07-08 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Targeted Degradation of the Oncogenic Phosphatase SHP2. Biochemistry, 60, 2021
7RNV	SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53 分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ... 著者 Dai, S, Horton, J.R, Cheng, X. 登録日 2021-07-29 公開日 2021-08-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin To Be Published
7RNS	nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53 分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ... 著者 Dai, S, Horton, J.R, Cheng, X. 登録日 2021-07-29 公開日 2021-08-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin To Be Published
7RNU	nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53 分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ... 著者 Dai, S, Horton, J.R, Cheng, X. 登録日 2021-07-29 公開日 2021-08-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin To Be Published
7PG5	Crystal Structure of PI3Kalpha 分子名称: GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... 著者 Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. 登録日 2021-08-13 公開日 2022-08-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.20029068 Å) 主引用文献 A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 2023
7PG6	Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719 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, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... 著者 Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. 登録日 2021-08-13 公開日 2022-08-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.49943733 Å) 主引用文献 A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 2023
7SA7	Crystal structure of the apo SH2 domains of Syk 分子名称: Tyrosine-protein kinase SYK 著者 Hobbs, H.T, Badroos, J, Gee, C.L, Kuriyan, J. 登録日 2021-09-22 公開日 2021-10-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Differences in the dynamics of the tandem-SH2 modules of the Syk and ZAP-70 tyrosine kinases. Protein Sci., 30, 2021
7Q5U	The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide 分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... 著者 Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. 登録日 2021-11-04 公開日 2021-11-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The tandem SH2 domains of SYK To Be Published

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