Structures Solved!

Structures Solved!

Below are some of the recent research publications citing the HTCSC for initial screening conditions:

Soluble Screen

  • Bremer PT, Pellett S, Carolan JP, Tepp WH, Eubanks LM, Allen KN, Johnson EA, Janda KD. Metal ions effectively ablate the action of botulinum neurotoxin A. Journal of the American Chemical Society. 2017; 139, 7264.
  • Guan R, Aiyer S, Cote ML, Xiao R, Jiang M, Acton TB, Roth MJ, Montelione GT. X‐ray crystal structure of the N‐terminal region of Moloney murine leukemia virus integrase and its implications for viral DNA recognition. Proteins: Structure, Function, and Bioinformatics. 2017; 85, 647.
  • Kgosisejo O, Chen JA, Grochulski P, Tanaka T. Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships. Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics. 2017; 1865, 473.
  • Marcos E, Basanta B, Chidyausiku TM, Tang Y, Oberdorfer G, Liu G, Swapna GV, Guan R, Silva DA, Dou J, Pereira JH. Principles for designing proteins with cavities formed by β curved sheets. Science. 2017; 355, 201.


  • Bailey DC, Drake EJ, Grant TD, Gulick AM. Structural and functional characterization of aerobactin synthetase IucA from a hypervirulent pathotype of Klebsiella pneumoniae. Biochemistry. 2016; 55, 3559.
  • Bruno AE, Soares AS, Owen RL, Snell EH. The use of haptic interfaces and web services in crystallography: an application for a ‘screen to beam’ interface. Journal of Applied Crystallography. 2016; 49, 2082.
  • Drake EJ, Miller BR, Shi C, Tarrasch JT, Sundlov JA, Allen CL, Skiniotis G, Aldrich CC, Gulick AM. Structures of two distinct conformations of holo-nonribosomal peptide synthetases. Nature. 2016; 529, 235.
  • Kolappan S, Coureuil M, Yu X, Nassif X, Egelman EH, Craig L. Structure of the Neisseria meningitidis Type IV pilus. Nature Communications. 2016; 7.
  • Ma LC, Guan R, Hamilton K, Aramini JM, Mao L, Wang S, Krug RM, Montelione GT. A second RNA-binding site in the NS1 protein of influenza B virus. Structure. 2016; 24, 1562.
  • Miller BR, Drake EJ, Shi C, Aldrich CC, Gulick AM. Structures of a nonribosomal peptide synthetase module bound to MbtH-like proteins support a highly dynamic domain architecture. Journal of Biological Chemistry. 2016; 291, 22559.
  • Paddock C, Zhou D, Lertkiatmongkol P, Newman PJ, Zhu J. Structural basis for PECAM-1 homophilic binding. Blood. 2016; 127, 1052.
  • Rohner M, Medina-Molner A, Spingler B. N,N,O and N,O,N meridional cis coordination of two guanines to copper(II) by d(CGCGCG)2. Inorganic Chemistry. 2016; 55, 6130.
  • Russo TA, Manohar A, Beanan JM, Olson R, MacDonald U, Graham J, Umland TC. The Response Regulator BfmR Is a Potential Drug Target for Acinetobacter baumannii. mSphere. 2016; 1, e00082-16.
  • Sutton KA, Breen J, Russo TA, Schultz LW, Umland TC. Crystal structure of 5-enolpyruvylshikimate-3-phosphate (EPSP) synthase from the ESKAPE pathogen Acinetobacter baumannii. Acta Crystallographica Section F: Structural Biology Communications. 2016; 72, 179.

Membrane Screen

  • Dong L, Yuan C, Orlando BJ, Malkowski MG, Smith WL. Fatty acid binding to the allosteric subunit of cyclooxygenase-2 relieves a tonic inhibition of the catalytic subunit. J Biol Chem. 2016; 291, 25641.
  • Lucido MJ, Orlando BJ, Vecchio AJ, Malkowski MG. Crystal structure of aspirin-acetylated human cyclooxygenase-2: Insight into the formation of products with reversed stereochemistry. Biochemistry. 2016; 55, 1226.
  • Morales-Perez CL, Noviello CM, Hibbs RE. Manipulation of subunit stoichiometry in heteromeric membrane proteins. Structure. 2016; 24, 797.
  • Orlando BJ, Malkowski MG. Substrate-selective inhibition of cyclooxygenase-2 by fenamic acid derivatives Is dependent on peroxide tone. J Biol Chem. 2016; 291, 15069.
  • Orlando BJ, Malkowski MG. Crystal structure of rofecoxib bound to human cyclooxygenase-2. Acta Crystallogr F Struct Biol Commun. 2016; 72, 772.