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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
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
3IN7	Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic Descriptor: Growth factor receptor-bound protein 2, N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide Authors: Clements, J.H. Deposit date: 2009-08-11 Release date: 2009-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 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
7Z3J	Structure of crystallisable rat Phospholipase C gamma 1 in complex with inositol 1,4,5-trisphosphate Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... Authors: Pinotsis, N, Bunney, T.D, Katan, M. Deposit date: 2022-03-02 Release date: 2022-07-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Characterization of the membrane interactions of phospholipase C gamma reveals key features of the active enzyme. Sci Adv, 8, 2022
1JYQ	Xray Structure of Grb2 SH2 Domain Complexed with a Highly Affine Phospho Peptide Descriptor: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, mAZ-pY-(alpha Me)pY-N-NH2 peptide inhibitor Authors: Nioche, P, Liu, W.-Q, Broutin, I, Charbonnier, F, Latreille, M.-T, Vidal, M, Roques, B, Garbay, C, Ducruix, A. Deposit date: 2001-09-13 Release date: 2002-03-13 Last modified: 2018-04-04 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structures of the SH2 domain of Grb2: highlight on the binding of a new high-affinity inhibitor. J.Mol.Biol., 315, 2002
3IMD	Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ... Authors: Clements, J.H. Deposit date: 2009-08-10 Release date: 2009-11-17 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 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
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
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
8S0P	A fragment-based inhibitor of SHP2 Descriptor: 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Cleasby, A, Price, A. Deposit date: 2024-02-14 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
1SHB	CRYSTAL STRUCTURE OF THE PHOSPHOTYROSINE RECOGNITION DOMAIN SH2 OF V-SRC COMPLEXED WITH TYROSINE-PHOSPHORYLATED PEPTIDES Descriptor: PHOSPHOPEPTIDE B, V-SRC SH2 DOMAIN Authors: Waksman, G, Kuriyan, J. Deposit date: 1992-08-18 Release date: 1993-10-31 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the phosphotyrosine recognition domain SH2 of v-src complexed with tyrosine-phosphorylated peptides. Nature, 358, 1992
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: 2012-02-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Peptide inhibitors of src SH3-SH2-phosphoprotein interactions. J.Biol.Chem., 269, 1994
2SHP	TYROSINE PHOSPHATASE SHP-2 Descriptor: DODECANE-TRIMETHYLAMINE, SHP-2 Authors: Hof, P, Pluskey, S, Dhe-Paganon, S, Eck, M.J, Shoelson, S.E. Deposit date: 1997-12-01 Release date: 1999-02-16 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the tyrosine phosphatase SHP-2. Cell(Cambridge,Mass.), 92, 1998
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
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: 2023-10-25 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
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
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
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
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
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: 2011-07-13 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
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
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
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
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
8U7X	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24 Descriptor: (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-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 (2.06 Å) Cite: Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors. Acs Med.Chem.Lett., 14, 2023

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