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	Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Journal, issue, pages	Chemmedchem, Vol. 15, Page 827-832, Year 2020
Publish date	Oct 30, 2019 (structure data deposition date)
Authors	Mortier, J. / Friberg, A. / Badock, V. / Moosmayer, D. / Schroeder, J. / Steigemann, P. / Siegel, F. / Gradl, S. / Bauser, M. / Hillig, R.C. ...Mortier, J. / Friberg, A. / Badock, V. / Moosmayer, D. / Schroeder, J. / Steigemann, P. / Siegel, F. / Gradl, S. / Bauser, M. / Hillig, R.C. / Briem, H. / Eis, K. / Bader, B. / Nguyen, D. / Christ, C.D.
External links	Chemmedchem / PubMed:32237114
Methods	X-ray diffraction
Resolution	1.16 - 1.64 Å
Structure data	PDB-6tam: X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3) Method: X-RAY DIFFRACTION / Resolution: 1.64 Å PDB-6tan: X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) Method: X-RAY DIFFRACTION / Resolution: 1.16 Å
Chemicals	ChemComp-GDP: GUANOSINE-5'-DIPHOSPHATE / GDP, energy-carrying moleculeYM ChemComp-MG: Unknown entry ChemComp-MZQ: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one ChemComp-HOH: WATER ChemComp-MZN*: 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one
Source	homo sapiens (human)
Keywords	HYDROLASE / KRAS / INHIBITOR / COVALENT BINDING