Rapid experimental SAD phasing and hot-spot identification with halogenated fragments
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[1] D. Ringe,et al. Locating and characterizing binding sites on proteins , 1996, Nature Biotechnology.
[2] MNDO and DFT Computational Study on the Mechanism of the Oxidation of 1,2-Diphenylhydrazine by Iodine , 2014 .
[3] Dima Kozakov,et al. The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins , 2015, Nature Protocols.
[4] J. Deisenhofer,et al. 'MAD'ly phasing the extracellular domain of the LDL receptor: a medium-sized protein, large tungsten clusters and multiple non-isomorphous crystals. , 2003, Acta crystallographica. Section D, Biological crystallography.
[5] Z. Otwinowski,et al. [20] Processing of X-ray diffraction data collected in oscillation mode. , 1997, Methods in enzymology.
[6] Eddy Arnold,et al. Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening. , 2013, Journal of medicinal chemistry.
[7] Z Dauter,et al. Novel approach to phasing proteins: derivatization by short cryo-soaking with halides. , 2000, Acta crystallographica. Section D, Biological crystallography.
[8] D. Truhlar,et al. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals , 2008 .
[9] J. Bajorath,et al. Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution. , 1994, The Journal of biological chemistry.
[10] A. Engelman,et al. Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases. , 1994, Science.
[11] Robert Huber,et al. Ta6Br122+, a tool for phase determination of large biological assemblies by X-ray crystallography , 1997 .
[12] Pierangelo Metrangolo,et al. Halogen bonding in halocarbon-protein complexes: a structural survey. , 2011, Chemical Society reviews.
[13] P. Emsley,et al. Features and development of Coot , 2010, Acta crystallographica. Section D, Biological crystallography.
[14] Shuxing Zhang,et al. Computational prediction of protein hot spot residues. , 2012, Current pharmaceutical design.
[15] K. Gehring,et al. Ligand specificity in fragment-based drug design. , 2010, Journal of medicinal chemistry.
[16] P. Esteves,et al. Dichloroiodoisocyanuric acid: a new reagent for regioselective coiodination of alkenes and iodination of activated arenes , 2012 .
[17] L. Christophorou. Science , 2018, Emerging Dynamics: Science, Energy, Society and Values.
[18] Eric Westhof,et al. Halogen bonds in biological molecules. , 2004, Proceedings of the National Academy of Sciences of the United States of America.
[19] C. Betzel,et al. X‐ray and model‐building studies on the specificity of the active site of proteinase K , 1988, Proteins.
[20] Steven F. Baker,et al. Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. , 2013, ACS chemical biology.
[21] G. Sheldrick,et al. The magic triangle goes MAD: experimental phasing with a bromine derivative , 2010, Acta crystallographica. Section D, Biological crystallography.
[22] S. D. Smith,et al. Spectroscopy … , 2020, Nature.
[23] C. Betzel,et al. Structure of the complex of proteinase K with a substrate analogue hexapeptide inhibitor at 2.2-A resolution. , 1994, The Journal of biological chemistry.
[24] Joseph D. Bauman,et al. Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design , 2008, Nucleic acids research.
[25] J. Rose,et al. Crystal structure of a bovine neurophysin II dipeptide complex at 2.8 A determined from the single-wavelength anomalous scattering signal of an incorporated iodine atom. , 1991, Proceedings of the National Academy of Sciences of the United States of America.
[26] E. Arnold,et al. Fragment screening and HIV therapeutics. , 2012, Topics in current chemistry.
[27] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[28] G. Sheldrick,et al. A magic triangle for experimental phasing of macromolecules. , 2008, Acta crystallographica. Section D, Biological crystallography.
[29] Suman Sirimulla,et al. Halogen Interactions in Protein-Ligand Complexes: Implications of Halogen Bonding for Rational Drug Design , 2013, J. Chem. Inf. Model..
[30] O. Dym,et al. Thermal stabilization of the protozoan Entamoeba histolytica alcohol dehydrogenase by a single proline substitution , 2008 .
[31] Randy J. Read,et al. Acta Crystallographica Section D Biological , 2003 .
[32] Joseph D. Bauman,et al. HIV-1 reverse transcriptase complex with DNA and nevirapine reveals nonnucleoside inhibition mechanism , 2012, Nature Structural &Molecular Biology.
[33] A. Joerger,et al. Principles and applications of halogen bonding in medicinal chemistry and chemical biology. , 2013, Journal of medicinal chemistry.
[34] Stefano Forli,et al. Crystallographic Fragment‐Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease , 2014, Chemical biology & drug design.
[35] V. Chiș,et al. Surface-enhanced Raman and DFT study on zidovudine , 2011 .
[36] L. Stewart,et al. Predicting the success of fragment screening by X-ray crystallography. , 2011, Methods in enzymology.
[37] W A Hendrickson,et al. Selenomethionyl proteins produced for analysis by multiwavelength anomalous diffraction (MAD): a vehicle for direct determination of three‐dimensional structure. , 1990, The EMBO journal.
[38] W. Delano. Unraveling hot spots in binding interfaces: progress and challenges. , 2002, Current opinion in structural biology.
[39] L. Radom,et al. Extension of Gaussian‐2 (G2) theory to bromine‐ and iodine‐containing molecules: Use of effective core potentials , 1995 .
[40] John I. Robinson,et al. SAD phasing using iodide ions in a high-throughput structural genomics environment , 2011, Journal of Structural and Functional Genomics.
[41] P. Nissen,et al. Identifying ligand-binding hot spots in proteins using brominated fragments. , 2013, Acta crystallographica. Section F, Structural biology and crystallization communications.