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6NUQ
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Stat3 Core in complex with compound SI109
分子名称: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
著者Meagher, J.L, Stuckey, J.A.
登録日2019-02-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
6JMF
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Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4
分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide, SULFATE ION, Tyrosine-protein kinase Fes/Fps
著者Baba, D, Hanzawa, H.
登録日2019-03-08
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.
Acs Med.Chem.Lett., 10, 2019
6R5G
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C-SH2 domain of SHP-2 in complex with phospho-ITSM of PD-1
分子名称: ITSM, Tyrosine-protein phosphatase non-receptor type 11
著者Marasco, M.
登録日2019-03-25
公開日2020-02-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
6ROZ
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Structure of the N-SH2 domain of the human tyrosine-protein phosphatase non-receptor type 11 in complex with the phosphorylated immune receptor tyrosine-based switch motif
分子名称: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based switch motif (ITSM)
著者Krausze, J, Sikorska, J, Carlomagno, T.
登録日2019-05-13
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
6ROY
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Structure of the N-SH2 domain of the human tyrosine-protein phosphatase non-receptor type 11 in complex with the phosphorylated immune receptor tyrosine-based inhibitory motif
分子名称: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based inhibitory motif (ITIM)
著者Krausze, J, Sikorska, J, Carlomagno, T.
登録日2019-05-13
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
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
6PBC
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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
6KC4
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Crystal structure of human Fer SH2 domain bound to a phosphopeptide (DEpYENVD)
分子名称: Tyrosine-protein kinase Fer, phosphopeptide (EDpYENVD)
著者Matsuura, Y.
登録日2019-06-27
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献High-resolution structural analysis shows how different crystallographic environments can induce alternative modes of binding of a phosphotyrosine peptide to the SH2 domain of Fer tyrosine kinase.
Protein Sci., 28, 2019
6PXC
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N-Terminal SH2 domain of the p120RasGAP bound to a p190RhoGAP phosphotyrosine peptide
分子名称: Ras GTPase-activating protein 1, phosphopeptide of p190RhoGAP
著者Jaber Chehayeb, R, Stiegler, A.L, Boggon, T.J.
登録日2019-07-25
公開日2019-12-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of p120RasGAP N-terminal SH2 domain in its apo form and in complex with a p190RhoGAP phosphotyrosine peptide.
Plos One, 14, 2019
6PXB
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N-Terminal SH2 domain of the p120RasGAP
分子名称: Ras GTPase-activating protein 1
著者Jaber Chehayeb, R, Stiegler, A.L, Boggon, T.J.
登録日2019-07-25
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Crystal structures of p120RasGAP N-terminal SH2 domain in its apo form and in complex with a p190RhoGAP phosphotyrosine peptide.
Plos One, 14, 2019
6SM5
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MbC/SHP1-C-SH2 complex
分子名称: MbC (monobody targeting SHP1-C-SH2), Tyrosine-protein phosphatase non-receptor type 6
著者Mann, G, Hantschel, O.
登録日2019-08-21
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献MbC/SHP1-C-SH2 complex
To Be Published
6UX2
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Crystal structure of ZIKV RdRp in complex with STAT2
分子名称: Nonstructural Protein 5, SULFATE ION, Signal transducer and activator of transcription 2, ...
著者Wang, B, Song, J.
登録日2019-11-06
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
6TLC
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BU of 6tlc by Molmil
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
6VK2
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BU of 6vk2 by Molmil
NMR solution structure of Grb2-SH2 domain at pH 7
分子名称: Growth factor receptor-bound protein 2
著者Sanches, K, Caruso, I.P, Melo, F.A, Almeida, F.C.L.
登録日2020-01-18
公開日2020-07-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dynamics of free and phosphopeptide-bound Grb2-SH2 reveals two dynamically independent subdomains and an encounter complex with fuzzy interactions.
Sci Rep, 10, 2020
6WAY
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C-terminal SH2 domain of p120RasGAP in complex with p190RhoGAP phosphotyrosine peptide
分子名称: Ras GTPase-activating protein 1, Rho GTPase-activating protein 35
著者Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J.
登録日2020-03-26
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain.
J.Biol.Chem., 295, 2020
6WAX
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C-terminal SH2 domain of p120RasGAP
分子名称: 1,2-ETHANEDIOL, Ras GTPase-activating protein 1, SULFATE ION
著者Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J.
登録日2020-03-26
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain.
J.Biol.Chem., 295, 2020
6WCZ
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CryoEM structure of full-length ZIKV NS5-hSTAT2 complex
分子名称: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
著者Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S.
登録日2020-03-31
公開日2020-07-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
6WM1
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Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
分子名称: ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ...
著者Martin, S.F, Clements, J.H.
登録日2020-04-20
公開日2020-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6WO2
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Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl
分子名称: ACE-PTR-02K-ASN-U67, CALCIUM ION, Growth factor receptor-bound protein 2, ...
著者Martin, S.F, Clements, J.H.
登録日2020-04-24
公開日2020-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6WU8
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Structure of human SHP2 in complex with inhibitor IACS-13909
分子名称: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Joseph, S, Rodenberger, A.
登録日2020-05-04
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
7CIO
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Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase
分子名称: Cytotoxic T-lymphocyte protein 4, Phosphatidylinositol 3-kinase regulatory subunit alpha
著者Iiyama, M, Numoto, N, Ogawa, S, Kuroda, M, Morii, H, Abe, R, Ito, N, Oda, M.
登録日2020-07-08
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Molecular interactions of the CTLA-4 cytoplasmic region with the phosphoinositide 3-kinase SH2 domains.
Mol.Immunol., 131, 2021
7JVN
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-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 (1.917 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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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
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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
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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

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件を2024-08-14に公開中

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