LIST OF PUBLICATIONS

Refereed Papers In Primary Journals

* A.C. Corresponding Author

Independent Research: Ciulli Group

DOI: 10.1016/j.chembiol.2012.08.015

24. Buckley, D.L., Gustafson, J.L., Van Molle, I., Roth, A.G., Tae, H.S., Gareiss, P.C., Jorgensen, W.L., Ciulli, A., Crews, C.M.

Small Molecules Inhibitors of the Interaction Between the E3 Ligase VHL and HIF1α.

Angew. Chem. Int. Ed. 2012.

DOI: 10.1002/anie.201206231

23. Buckley, D.L., Van Molle, I., Gareiss, P.C., Tae, H.S., Michel, J., Noblin, D.J., Jorgensen, W.L., Ciulli, A.*, Crews, C.M.

Targeting the von Hippel-Lindau E3 ubiquitin ligase using small molecules to disrupt the VHL/HIF-1a interaction.
J. Am. Chem. Soc. 2012, 134, 4465–4468.

DOI: 10.1021/ja209924v                                                                                                                                    

• Highlighted in PPI-Net.org and in Lou, K.-J. SciBX 5(20); DOI:10.1038/scibx.2012.514

22. Philpott, M., Yang, J., Tumber, T., Fedorov, O., Uttarkar, S., Filippakopoulos, P., Picaud, S., Keates, T., Felletar, I., Ciulli, A., Knapp, S., Heightman, T.D.

Bromodomain-peptide displacement assays for interactome mapping and inhibitor discovery.

Mol. Biosyst. 2011, 7, 2899–2908.

DOI: 10.1039/C1MB05099K   

• Top Most-Accessed Article in August 2011

Postdoctoral Studies: Prof. Chris Abell & Prof. Tom L. Blundell

21. Hudson, S.A., McLean, K.J., Surade, S., Yang, Y.-Q., Leys, D., Ciulli, A., Munro, A.W., Abell, C.

Application of fragment screening and merging to the discovery of inhibitors of the Mycobacterium tuberculosis cytochrome P450 CYP121.

Angew. Chem. Int. Ed. 2012, 51, 9311–9316.

DOI: 10.1002/anie.201202544

20. Dias, M.V.B., Snee, W.C., Bromfield, K.M., Payne, R.J., Palaninathan, S.K., Ciulli, A., Howard, N.I., Abell, C., Sacchettini, J.C., Blundell, T.L.

Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.

Biochem. J. 2011, 436(3), 729–39.

DOI: 10.1042/BJ20110002                                        

19. Śledź, P., Silvestre, H.L., Hung, A.W., Ciulli, A., Blundell, T.L., and Abell, C.

Optimization of the Interligand Overhauser Effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.

J. Am. Chem. Soc. 2010, 132, 4544–4545.

DOI: 10.1021/ja100595u                                                                                             

18. Scott, D.E., Dawes, G.J., Ando, M., Abell, C. and Ciulli, A.* 

A fragment-based approach to probing adenosine recognition sites using dynamic combinatorial chemistry.

ChemBioChem 2009, 10, 2772–2779.

DOI: 10.1002/cbic.200900537                                                 

17. Hung, A.W., Silvestre, H.L., Wen, S., Ciulli, A., Blundell, T.L., and Abell, C. 

Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.

Angew. Chem. Int. Ed. 2009, 48, 8452–8456.

DOI: 10.1002/anie.200903821                                                                                                                                                    

16. Ciulli, A.*, Scott, D.E., Ando, M., Reyes, F., Saldanha, S.A., Tuck, K.L., Chirgadze, D.Y., Blundell, T.L., and Abell, C.

Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.

ChemBioChem 2008, 9, 2606–2611.

DOI: 10.1002/cbic.200800437                                                                                                                                    

15. Ciulli, A., & Abell, C.  Fragment-based approaches to enzyme inhibition.

Curr. Opin. Biotech. 2007, 18(6), 489–496.  

DOI 10.1016/j.copbio.2007.09.003

14. Scott, D.E., Ciulli, A., and Abell, C. 

Coenzyme biosynthesis: enzyme mechanism, structure and inhibition.

Nat. Prod. Rep. 2007, 24, 1009–1026.

DOI: 10.1039/b703108b           

PhD Studies: Prof. Chris Abell

13. Kerbarh, O., Ciulli, A., Chirgadze, D.Y., Blundell, T.L., and Abell, C. 

Nucleophile selectivity of chorismate-utilizing enzymes.

ChemBioChem 2007, 8, 622–624.

DOI: 10.1002/cbic.200700019                                                                                                                                         

12. Ciulli, A., Chirgadze, D.Y., Smith, A.G., Blundell, T.L., and Abell, C. 

Crystal structure of ketopantoate reductase in a ternary complex with NADP+ and pantoate bound: substrate recognition, conformational change and cooperativity.

J. Biol. Chem. 2007, 282, 8487–8497.

DOI: 10.1074/jbc.M611171200                                                                                                                                           

11. Ciulli, A., Lobley, C.M.C., Tuck, K.L., Smith, A.G., Blundell, T.L., and Abell, C. 

pH tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.

Acta Cryst. D63 2007, 171–178.

DOI: 10.1107/S0907444906044465

10. Ciulli, A., Williams, G., Smith, A.G., Blundell, T.L., and Abell, C. 

Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods.

J. Med. Chem. 2006, 49, 4992–5000.

DOI: 10.1021/jm060490r                                     

• Highlighted in the Faculty of 1000 Biology (twice) and in the Microcal Autumn 2007 Newsletter

• Listed 13th Most-Accessed Article in Jul–Sept 2006

9. Kerbarh, O., Ciulli, A., Howard, N.I., and Abell, C.

Salicylate biosynthesis: over-expression, purification and characterization of Irp9, a bifunctional salicylate synthase from Yersinia enterocolitica.

J. Bacteriol. 2005, 187, 5061–5066.               

DOI: 10.1128/JB.187.15.5061-5066.2005                                                                                                                                                                                      

8. Ciulli, A.*, & Abell, C. 

Biophysical tools to monitor enzyme-ligand interactions of enzymes involved in vitamin biosynthesis.

Biochem. Soc. Trans. 2005, 33, 767–771.

DOI: 10.1042/BST0330767                                                                                               

7. Lobley, C.M.C., Ciulli, A., Whitney, H.M., Williams, G., Smith, A.G., Abell, C., and Blundell, T.L. 

The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.

Biochemistry 2005, 44, 8930–8939.

DOI: 10.1021/bi0502036                   

Pre-PhD Studies

6. Banci, L., Bertini, I., Ciulli, A., Fragai, M., Luchinat, C., and Terni, B. 

Expression and high yield production of the catalytic domain of matrix metalloproteinase 12 and of an active mutant with increased solubility.

J. Mol. Cat. A: Chem. 2003, 204-205, 401–408.

DOI: 10.1016/S1381-1169(03)00493-X                                                                                                                       

5. Bashall, A., Ciulli, A., Harron, E.A., Lawson, G.T., McPartlin, M., Mosquera, M.E.G., and Wright, D.S. 

Effects of meta-substitution on aggregation in the cubanes [SnNR]4{R = [2-Me-5-MeOC6H3], [2,5-(MeO)2C6H3] and [3,5-(MeO)2C6H3]}.

J. Chem. Soc. Dalton Trans. 2002, 6, 1046–1050.

DOI: 10.1039/b107425c                                                                       

Book Chapters

4. Ciulli, A.*

Biophysical Screening for the Discovery of Small-Molecule Ligands, in: ‘Protein-Ligand Interactions 2nd Ed.’.

Methods in Molecular Biology/Springer Protocols, T. Daviter and M. Williams, Ed., Humana Press.  In Press.

3. Śledź, P., Abell, C. and Ciulli, A.*

Ligand‐Observed NMR in Fragment‐Based Approaches, in: ‘NMR of Biomolecules: Towards Mechanistic Systems Biology’.

I. Bertini, K. McGreevy and G. Parigi, Ed., Wiley, 2012, pp. 265–280. ISBN: 978-3-527-32850-5.

2. Heikkila, T.J., Surade, S., Silvestre, H.L., Dias, M.V., Ciulli, A., Bromfield, K.M., Scott, D.E., Howard, N.I, Wen, S., Wei, A.H., Osborne, D.M., Abell, C., and Blundell, T.L. Fragment-based drug discovery in academia: Experiences from a tuberculosis programme, in: Proceedings of the NATO International School of Crystallography, 40th Course ‘From Molecules to Medicine: Structure of Biological Macromolecules and Its Relevance in Combating New Diseases and Bioterrorism’.

J. L. Sussman and P. Spadon, Ed., Springer, 2009, pp. 21–36. ISBN: 978-9-048-12338-4.

1. Ciulli, A., Blundell, T.L., and Abell, C. 

Discovery and extrapolation of fragment structures towards drug design, in: ‘Computational and Structural Approaches to Drug Discovery – Ligand-Protein Interactions’.

R. M. Stroud and J. Finer-Moore, Ed., Royal Society of Chemistry, London, 2008, pp. 293–318. ISBN: 978-1-84755-796-4.

PubMed list of publications