Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
Journal, issue, pages	J. Med. Chem., Vol. 67, Page 4655-4675, Year 2024
Publish date	Feb 13, 2024 (structure data deposition date)
Authors	Day, J.E.H. / Berdini, V. / Castro, J. / Chessari, G. / Davies, T.G. / Day, P.J. / St Denis, J.D. / Fujiwara, H. / Fukaya, S. / Hamlett, C.C.F. ...Day, J.E.H. / Berdini, V. / Castro, J. / Chessari, G. / Davies, T.G. / Day, P.J. / St Denis, J.D. / Fujiwara, H. / Fukaya, S. / Hamlett, C.C.F. / Hearn, K. / Hiscock, S.D. / Holvey, R.S. / Ito, S. / Kandola, N. / Kodama, Y. / Liebeschuetz, J.W. / Martins, V. / Matsuo, K. / Mortenson, P.N. / Muench, S. / Nakatsuru, Y. / Ochiiwa, H. / Palmer, N. / Peakman, T. / Price, A. / Reader, M. / Rees, D.C. / Rich, S.J. / Shah, A. / Shibata, Y. / Smyth, T. / Twigg, D.G. / Wallis, N.G. / Williams, G. / Wilsher, N.E. / Woodhead, A. / Shimamura, T. / Johnson, C.N.
External links	J. Med. Chem. / PubMed:38462716
Methods	X-ray diffraction
Resolution	1.83 - 2.19 Å
Structure data	PDB-8rzw: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 2.02 Å PDB-8rzy: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.91 Å PDB-8s01: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 2.17 Å PDB-8s04: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.89 Å PDB-8s06: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 2.19 Å PDB-8s07: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.83 Å PDB-8s0h: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.99 Å PDB-8s0i: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.929 Å PDB-8s0j: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.89 Å PDB-8s0k: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.84 Å PDB-8s0o: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.834 Å PDB-8s0p: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-8s0q: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.872 Å PDB-8s0s: A fragment-based inhibitor of SHP2 Method: X-RAY DIFFRACTION / Resolution: 1.94 Å
Chemicals	PDB-1h4n: H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS ChemComp-HOH: WATER PDB-1h4l: Structure and regulation of the CDK5-p25(nck5a) complex ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM PDB-1h4j: Methylobacterium extorquens methanol dehydrogenase D303E mutant PDB-1h4i: Methylobacterium extorquens methanol dehydrogenase PDB-1h4m: Sulfurtransferase from Azotobacter vinelandii in complex with phosphate ChemComp-FMT: FORMIC ACID PDB-1h4k: Sulfurtransferase from Azotobacter vinelandii in complex with hypophosphite PDB-1h4q: Prolyl-tRNA synthetase from Thermus thermophilus complexed with tRNApro(CGG), ATP and prolinol PDB-1h4p: Crystal structure of exo-1,3-beta glucanse from Saccharomyces cerevisiae PDB-1h4r: Crystal Structure of the FERM domain of Merlin, the Neurofibromatosis 2 Tumor Suppressor Protein. PDB-1h4s: Prolyl-tRNA synthetase from Thermus thermophilus complexed with tRNApro(CGG) and a prolyl-adenylate analogue PDB-1h4g: Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre PDB-1h4o: Monoclinic form of human peroxiredoxin 5 PDB-1h4t: Prolyl-tRNA synthetase from Thermus thermophilus complexed with L-proline PDB-1h4h*: Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre
Source	homo sapiens (human)
Keywords	SIGNALING PROTEIN / protein tyrosine phophatase / SH2 domain / autoinhibition / allostery