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Items: 12


Ligand deconstruction: Why some fragment binding positions are conserved and others are not.

Kozakov D, Hall DR, Jehle S, Luo L, Ochiana SO, Jones EV, Pollastri M, Allen KN, Whitty A, Vajda S.

Proc Natl Acad Sci U S A. 2015 May 19;112(20):E2585-94. doi: 10.1073/pnas.1501567112. Epub 2015 Apr 27. Erratum in: Proc Natl Acad Sci U S A. 2015 Jul 14;112(28):E3749. Jehle, Sefan [corrected to Jehle, Stefan].


Exquisitely specific bisubstrate inhibitors of c-Src kinase.

Brandvold KR, Santos SM, Breen ME, Lachacz EJ, Steffey ME, Soellner MB.

ACS Chem Biol. 2015 Jun 19;10(6):1387-91. doi: 10.1021/cb501048b. Epub 2015 Mar 31.


Irreversible inhibition of DNA polymerase β by small-molecule mimics of a DNA lesion.

Arian D, Hedayati M, Zhou H, Bilis Z, Chen K, DeWeese TL, Greenberg MM.

J Am Chem Soc. 2014 Feb 26;136(8):3176-83. doi: 10.1021/ja411733s. Epub 2014 Feb 11.


Fragment-based drug discovery using NMR spectroscopy.

Harner MJ, Frank AO, Fesik SW.

J Biomol NMR. 2013 Jun;56(2):65-75. doi: 10.1007/s10858-013-9740-z. Epub 2013 May 18. Review.


The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures.

Liebeschuetz J, Hennemann J, Olsson T, Groom CR.

J Comput Aided Mol Des. 2012 Feb;26(2):169-83. doi: 10.1007/s10822-011-9538-6. Epub 2012 Jan 14.


Utilization of nitrophenylphosphates and oxime-based ligation for the development of nanomolar affinity inhibitors of the Yersinia pestis outer protein H (YopH) phosphatase.

Bahta M, Lountos GT, Dyas B, Kim SE, Ulrich RG, Waugh DS, Burke TR Jr.

J Med Chem. 2011 Apr 28;54(8):2933-43. doi: 10.1021/jm200022g. Epub 2011 Mar 28.


Probing the reaction coordinate of the p300/CBP histone acetyltransferase with bisubstrate analogs.

Karukurichi KR, Cole PA.

Bioorg Chem. 2011 Feb;39(1):42-7. doi: 10.1016/j.bioorg.2010.10.004. Epub 2010 Oct 28.


Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands.

Kaushal PS, Talawar RK, Varshney U, Vijayan M.

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2010 Aug 1;66(Pt 8):887-92. doi: 10.1107/S1744309110023043. Epub 2010 Jul 27.


Enhanced interrogation: emerging strategies for cell signaling inhibition.

Huang R, Martinez-Ferrando I, Cole PA.

Nat Struct Mol Biol. 2010 Jun;17(6):646-9. doi: 10.1038/nsmb0610-646. Review.


A rapid oxime linker-based library approach to identification of bivalent inhibitors of the Yersinia pestis protein-tyrosine phosphatase, YopH.

Liu F, Hakami RM, Dyas B, Bahta M, Lountos GT, Waugh DS, Ulrich RG, Burke TR Jr.

Bioorg Med Chem Lett. 2010 May 1;20(9):2813-6. doi: 10.1016/j.bmcl.2010.03.058. Epub 2010 Mar 15.


Fragment-based cocktail crystallography by the medical structural genomics of pathogenic protozoa consortium.

Verlinde CL, Fan E, Shibata S, Zhang Z, Sun Z, Deng W, Ross J, Kim J, Xiao L, Arakaki TL, Bosch J, Caruthers JM, Larson ET, Letrong I, Napuli A, Kelly A, Mueller N, Zucker F, Van Voorhis WC, Buckner FS, Merritt EA, Hol WG.

Curr Top Med Chem. 2009;9(18):1678-87. Review.


Uracil-DNA glycosylase: Structural, thermodynamic and kinetic aspects of lesion search and recognition.

Zharkov DO, Mechetin GV, Nevinsky GA.

Mutat Res. 2010 Mar 1;685(1-2):11-20. doi: 10.1016/j.mrfmmm.2009.10.017. Epub 2009 Nov 10. Review.

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