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6WO2	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
7MPH	GRB2 SH2 Domain with Compound 7 Descriptor: (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, ... Authors: Sun, L, Schonbrunn, E. Deposit date: 2021-05-04 Release date: 2021-09-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Synthesis and structural characterization of a monocarboxylic inhibitor for GRB2 SH2 domain. Bioorg.Med.Chem.Lett., 51, 2021
2IUH	Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with c-Kit phosphotyrosyl peptide Descriptor: C-KIT PHOSPHOTYROSYL PEPTIDE, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA SUBUNIT Authors: Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C. Deposit date: 2006-06-03 Release date: 2006-06-06 Last modified: 2021-04-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the Pi 3-Kinase P85 Amino-Terminal Sh2 Domain and its Phosphopeptide Complexes Nat.Struct.Biol., 3, 1996
1SHD	PEPTIDE INHIBITORS OF SRC SH3-SH2-PHOSPHOPROTEIN INTERACTIONS Descriptor: C-SRC TYROSINE KINASE SH2 DOMAIN, TRKA RECEPTOR Authors: Gilmer, T, Jordan, S. Deposit date: 1994-11-10 Release date: 1995-01-26 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2 Å) Cite: Peptide inhibitors of src SH3-SH2-phosphoprotein interactions. J.Biol.Chem., 269, 1994
1O4E	CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78299. Descriptor: 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC Authors: Lange, G, Loenze, P, Liesum, A. Deposit date: 2003-06-15 Release date: 2004-02-17 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2 Å) Cite: Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
3N8M	Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP Descriptor: GLYCEROL, Growth factor receptor-bound protein 2, PEPTIDE Authors: Whiddon, B.B, Clements, J.H, Martin, S.F. Deposit date: 2010-05-28 Release date: 2010-12-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010
1A09	C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine) Descriptor: ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE Authors: Shewchuk, L, Jordan, S. Deposit date: 1997-12-10 Release date: 1998-04-08 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2 Å) Cite: Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study. Biochemistry, 36, 1997
1QCF	CRYSTAL STRUCTURE OF HCK IN COMPLEX WITH A SRC FAMILY-SELECTIVE TYROSINE KINASE INHIBITOR Descriptor: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Tyrosine-protein kinase HCK Authors: Schindler, T, Sicheri, F, Pico, A, Gazit, A, Levitzki, A, Kuriyan, J. Deposit date: 1999-05-04 Release date: 1999-06-08 Last modified: 2022-12-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of Hck in complex with a Src family-selective tyrosine kinase inhibitor. Mol.Cell, 3, 1999
2HDV	Crystal structure of the Src Homology-2 domain of the adapter protein SH2-B Descriptor: SH2-B PH domain containing signaling mediator 1 gamma isoform Authors: Hu, J, Hubbard, S.R. Deposit date: 2006-06-20 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Basis for Phosphotyrosine Recognition by the Src Homology-2 Domains of the Adapter Proteins SH2-B and APS. J.Mol.Biol., 361, 2006
2HMH	Crystal structure of SOCS3 in complex with gp130(pTyr757) phosphopeptide. Descriptor: Interleukin-6 receptor beta chain, Suppressor of cytokine signaling 3 Authors: Bergamin, E, Wu, J, Hubbard, S.R. Deposit date: 2006-07-11 Release date: 2006-08-15 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis for phosphotyrosine recognition by suppressor of cytokine signaling-3. Structure, 14, 2006
3N84	Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP Descriptor: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ... Authors: Clements, J.H, Martin, S.F. Deposit date: 2010-05-27 Release date: 2011-01-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010
1BKM	COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX Descriptor: PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE Authors: Holland, D.R, Rubin, J.R. Deposit date: 1997-05-02 Release date: 1997-07-07 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain J.Am.Chem.Soc., 119, 1997
7NUF	Vaccinia virus protein 018 in complex with STAT1 Descriptor: ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ... Authors: Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M. Deposit date: 2021-03-12 Release date: 2021-07-28 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.0004015 Å) Cite: Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling. Cell Host Microbe, 30, 2022
3QWX	CED-2 1-174 Descriptor: Cell death abnormality protein 2, SULFATE ION Authors: Kang, Y, Sun, J, Liu, Y. Deposit date: 2011-02-28 Release date: 2011-06-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Crystal structure of the cell corpse engulfment protein CED-2 in Caenorhabditis elegans. Biochem.Biophys.Res.Commun., 410, 2011
7ZLR	Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... Authors: Ramachandran, S, Ciulli, A, Makukhin, N. Deposit date: 2022-04-15 Release date: 2023-04-26 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
3KFJ	Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ... Authors: Clements, J.H. Deposit date: 2009-10-27 Release date: 2010-03-02 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization. J.Am.Chem.Soc., 131, 2009
3IMJ	Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic Descriptor: (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester, Growth factor receptor-bound protein 2 Authors: Clements, J.H. Deposit date: 2009-08-10 Release date: 2009-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization. J.Am.Chem.Soc., 131, 2009
8RZW	A fragment-based inhibitor of SHP2 Descriptor: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-13 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
3N7Y	Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV Descriptor: 20-membered peptide-like macrocyclic ligand, Growth factor receptor-bound protein 2 Authors: Whiddon, B.B, Clements, J.H, Martin, S.F. Deposit date: 2010-05-27 Release date: 2011-01-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010
8U7W	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7 Descriptor: 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Mou, T.C. Deposit date: 2023-09-15 Release date: 2024-01-03 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors. Acs Med.Chem.Lett., 14, 2023
1AYA	CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE Descriptor: PEPTIDE PDGFR-1009, PROTEIN-TYROSINE PHOSPHATASE SYP (N-TERMINAL SH2 DOMAIN) Authors: Lee, C.-H, Kuriyan, J. Deposit date: 1994-05-15 Release date: 1994-08-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal structures of peptide complexes of the amino-terminal SH2 domain of the Syp tyrosine phosphatase. Structure, 2, 1994
6MDD	Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24 Descriptor: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 Authors: Fodor, M, Stams, T. Deposit date: 2018-09-04 Release date: 2019-02-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors. J. Med. Chem., 62, 2019
3TL0	Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide Descriptor: RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 Authors: Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. Deposit date: 2011-08-29 Release date: 2011-09-28 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain. Biochemistry, 50, 2011
6BMV	Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP504 Descriptor: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 Authors: Stams, T, Fodor, M. Deposit date: 2017-11-15 Release date: 2018-01-17 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.053 Å) Cite: Dual Allosteric Inhibition of SHP2 Phosphatase. ACS Chem. Biol., 13, 2018
9BLG	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892 Descriptor: (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Bester, S.M, Wu, W.-I, Mou, T.-C. Deposit date: 2024-04-30 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (2.06 Å) Cite: SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy. Cancer Discov, 13, 2023

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