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 Drug Discovery of Novel High-affinity, Selective, and Anti-inflammatory Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction.
Journal, issue, pages	Angew. Chem. Int. Ed. Engl., Vol. 64, Page e202508121-e202508121, Year 2025
Publish date	Jan 6, 2025 (structure data deposition date)
Authors	Lin, C. / Narayanan, D. / Barreca, M. / Poulsen, C. / da Costa, L.S. / Chen, X. / Wichman, K.G. / Charley, C.A. / Lindsay, J.L. / Dezfouli, M. ...Lin, C. / Narayanan, D. / Barreca, M. / Poulsen, C. / da Costa, L.S. / Chen, X. / Wichman, K.G. / Charley, C.A. / Lindsay, J.L. / Dezfouli, M. / Vlissari, D. / Mortensen, T.S. / Chan, C.B. / Wang, J. / Richardson, W. / Manning, C.E. / Chen, Z. / Zang, J. / Kack, H. / Gajhede, M. / Bullock, A.N. / Blake, D.J. / Olagnier, D. / Bach, A.
External links	Angew. Chem. Int. Ed. Engl. / PubMed:40838516
Methods	X-ray diffraction
Resolution	1.14 - 1.74 Å
Structure data	PDB-9hwq: Crystal structure of the Keap1 Kelch domain in complex with the XChem fragment Z19735904 at 1.14 Angstrom resolution. Method: X-RAY DIFFRACTION / Resolution: 1.14 Å PDB-9hwr: Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#827 at 1.40 Angstrom resolution Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9hws: Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#909 at 1.61 Angstrom resolution Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-9hwt: Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#985 at 1.65 Angstrom resolution Method: X-RAY DIFFRACTION / Resolution: 1.65 Å PDB-9hwu: Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#1004 at 1.40 Angstrom resolution Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9hwv: Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#1010 at 1.50 Angstrom resolution Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9hww: Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#1032 at 1.61 Angstrom resolution Method: X-RAY DIFFRACTION / Resolution: 1.61 Å PDB-9hwx: Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#1090 at 1.74 Angstrom resolution Method: X-RAY DIFFRACTION / Resolution: 1.74 Å
Chemicals	ChemComp-B0A: ~{N}-cyclohexyl-2-phenoxy-ethanamide ChemComp-SO4: SULFATE ION ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM ChemComp-HOH: WATER PDB-1ix2: Crystal Structure of Selenomethionine PcoC, a Copper Resistance Protein from Escherichia coli ChemComp-CL: Unknown entry PDB-1ix3: Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Cyanide PDB-1ix4: Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Carbon Monoxide PDB-1ixy: Ternary complex of T4 phage BGT with UDP and a 13 mer DNA duplex PDB-1ixz: Crystal structure of the FtsH ATPase domain from Thermus thermophilus PDB-1ix0: I59A-3SS human lysozyme PDB-1ix1*: Crystal Structure of P.aeruginosa Peptide deformylase Complexed with Antibiotic Actinonin
Source	mus musculus (house mouse)
Keywords	PEPTIDE BINDING PROTEIN / Keap1 / Nrf2 / Oxidative stress / Inhibitor