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6NCT
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Structure of p110alpha/niSH2 - vector data collection
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
Authors:Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2018-12-12
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
Descriptor: 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)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-01-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
6QHD
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BU of 6qhd by Molmil
Lysine acetylated and tyrosine phosphorylated STAT3 in a complex with DNA
Descriptor: 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
Authors:Arbely, E, Belo, Y, Shahar, A, Zarivach, R.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine.
Biochim Biophys Acta Gen Subj, 1863, 2019
6NUQ
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BU of 6nuq by Molmil
Stat3 Core in complex with compound SI109
Descriptor: 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)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-02-01
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
6JMF
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BU of 6jmf by Molmil
Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4
Descriptor: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide, SULFATE ION, Tyrosine-protein kinase Fes/Fps
Authors:Baba, D, Hanzawa, H.
Deposit date:2019-03-08
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 6r5g by Molmil
C-SH2 domain of SHP-2 in complex with phospho-ITSM of PD-1
Descriptor: ITSM, Tyrosine-protein phosphatase non-receptor type 11
Authors:Marasco, M.
Deposit date:2019-03-25
Release date:2020-02-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
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
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based switch motif (ITSM)
Authors:Krausze, J, Sikorska, J, Carlomagno, T.
Deposit date:2019-05-13
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite: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
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based inhibitory motif (ITIM)
Authors:Krausze, J, Sikorska, J, Carlomagno, T.
Deposit date:2019-05-13
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
5BK8
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BU of 5bk8 by Molmil
Cancer-associated SHP2/T507K mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Zhang, Z.Y.
Deposit date:2019-06-01
Release date:2020-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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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BU of 6pbc by Molmil
Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma,1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, SODIUM ION
Authors:Hajicek, N, Sondek, J.
Deposit date:2019-06-13
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations.
Elife, 8, 2019
6KC4
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BU of 6kc4 by Molmil
Crystal structure of human Fer SH2 domain bound to a phosphopeptide (DEpYENVD)
Descriptor: Tyrosine-protein kinase Fer, phosphopeptide (EDpYENVD)
Authors:Matsuura, Y.
Deposit date:2019-06-27
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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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BU of 6pxc by Molmil
N-Terminal SH2 domain of the p120RasGAP bound to a p190RhoGAP phosphotyrosine peptide
Descriptor: Ras GTPase-activating protein 1, phosphopeptide of p190RhoGAP
Authors:Jaber Chehayeb, R, Stiegler, A.L, Boggon, T.J.
Deposit date:2019-07-25
Release date:2019-12-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Ras GTPase-activating protein 1
Authors:Jaber Chehayeb, R, Stiegler, A.L, Boggon, T.J.
Deposit date:2019-07-25
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.747 Å)
Cite: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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BU of 6sm5 by Molmil
MbC/SHP1-C-SH2 complex
Descriptor: MbC (monobody targeting SHP1-C-SH2), Tyrosine-protein phosphatase non-receptor type 6
Authors:Mann, G, Hantschel, O.
Deposit date:2019-08-21
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:MbC/SHP1-C-SH2 complex
To Be Published
6UX2
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BU of 6ux2 by Molmil
Crystal structure of ZIKV RdRp in complex with STAT2
Descriptor: Nonstructural Protein 5, SULFATE ION, Signal transducer and activator of transcription 2, ...
Authors:Wang, B, Song, J.
Deposit date:2019-11-06
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite: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
Descriptor: Monobody, Signal transducer and activator of transcription 3
Authors:La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O.
Deposit date:2019-12-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: Growth factor receptor-bound protein 2
Authors:Sanches, K, Caruso, I.P, Melo, F.A, Almeida, F.C.L.
Deposit date:2020-01-18
Release date:2020-07-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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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BU of 6way by Molmil
C-terminal SH2 domain of p120RasGAP in complex with p190RhoGAP phosphotyrosine peptide
Descriptor: Ras GTPase-activating protein 1, Rho GTPase-activating protein 35
Authors:Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J.
Deposit date:2020-03-26
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Ras GTPase-activating protein 1, SULFATE ION
Authors:Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J.
Deposit date:2020-03-26
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain.
J.Biol.Chem., 295, 2020
6WCZ
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BU of 6wcz by Molmil
CryoEM structure of full-length ZIKV NS5-hSTAT2 complex
Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
Authors: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.
Deposit date:2020-03-31
Release date:2020-07-08
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
6WM1
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BU of 6wm1 by Molmil
Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
Descriptor: ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ...
Authors:Martin, S.F, Clements, J.H.
Deposit date:2020-04-20
Release date:2020-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6WO2
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BU of 6wo2 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl
Descriptor: ACE-PTR-02K-ASN-U67, CALCIUM ION, Growth factor receptor-bound protein 2, ...
Authors:Martin, S.F, Clements, J.H.
Deposit date:2020-04-24
Release date:2020-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
Descriptor: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Joseph, S, Rodenberger, A.
Deposit date:2020-05-04
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
7CIO
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BU of 7cio by Molmil
Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase
Descriptor: Cytotoxic T-lymphocyte protein 4, Phosphatidylinositol 3-kinase regulatory subunit alpha
Authors:Iiyama, M, Numoto, N, Ogawa, S, Kuroda, M, Morii, H, Abe, R, Ito, N, Oda, M.
Deposit date:2020-07-08
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Molecular interactions of the CTLA-4 cytoplasmic region with the phosphoinositide 3-kinase SH2 domains.
Mol.Immunol., 131, 2021
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020

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