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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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BU of 6wax by Molmil
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
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
6UX2
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BU of 6ux2 by Molmil
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
6SM5
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BU of 6sm5 by Molmil
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
6ROZ
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BU of 6roz by Molmil
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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BU of 6roy by Molmil
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
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
6QHD
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BU of 6qhd by Molmil
Lysine acetylated and tyrosine phosphorylated STAT3 in a complex with DNA
分子名称: DNA (5'-D(*AP*AP*GP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*TP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3
著者Arbely, E, Belo, Y, Shahar, A, Zarivach, R.
登録日2019-01-16
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine.
Biochim Biophys Acta Gen Subj, 1863, 2019
6PXC
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BU of 6pxc by Molmil
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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BU of 6pxb by Molmil
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
6PBC
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BU of 6pbc by Molmil
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
6NUQ
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BU of 6nuq by Molmil
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
6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
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2019-01-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 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
6NCT
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BU of 6nct by Molmil
Structure of p110alpha/niSH2 - vector data collection
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
著者Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
登録日2018-12-12
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
分子名称: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, 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 (2.05 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDC
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BU of 6mdc by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
分子名称: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-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2024-04-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDB
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BU of 6mdb by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-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 (2.34 Å)
主引用文献6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDA
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BU of 6mda by Molmil
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
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
6MD7
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BU of 6md7 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
分子名称: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-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 (1.96 Å)
主引用文献6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MBZ
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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
6MBW
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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 (3.29 Å)
主引用文献Structural and functional consequences of the STAT5BN642H driver mutation.
Nat Commun, 10, 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

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