The Carroll Lab

RESEARCH

Updated 7/26/2011

Microbial Sulfur Metabolism

Projects in this area focus on pathways of sulfur metabolism in human pathogens, such as Mycobacterium tuberculosis and the study of enzymes that are critical for virulence and survival using a range of chemical, biochemical, structural, and computational techniques.

Reviews:

Bhave, D. P.; Muse, W. B. 3rd; Carroll, K. S. “Drug targets in mycobacterial sulfur metabolism.” Infect. Disord. Drug Targets. 2007, 7(2), 140-58. [PubMed Link]

Research Articles:

Bhave, D. P.; Hong, J. A.; Keller, R. L.; Krebs, C.; and Carroll, K. S. "Iron-Sulfur Cluster Engineering Provides Insight into the Evolution of Substrate Specificity among the Family of Sulfonucleotide Reductases." ACS Chem. Biol. 2011 [PubMed Link]

Bhave, D. P.; Han, W. G.; Pazicni, S.; Penner-Hahn, J. E.; Carroll, K. S. and Noodleman, L. “Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5’-Phosphosulfate Reducatse from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy.” Inorg. Chem. 2011 [PubMed Link]

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Hong, J. A. and Carroll, K. S. “Deciphering the role of histidine 252 in mycobacterial APS reductase catalysis.” J. Biol. Chem. 2011 [PubMed Link]

Bhave, D. P.; Hong, J. A.; Lee, M.; Jiang, W.; Krebs, C.; Carroll, K. S. “Spectroscopic studies on the [4Fe-4S] cluster in adenosine 5’-phosphosulfate reductase from Mycobacterium tuberculosis.” J. Biol. Chem. 2011, 286(2), 1216-26. [PubMed Link]

Hong, J. A.; Bhave, D. P.; Carroll, K. S. “Identifiation of critical ligand binding determinants in Mycobacterium tuberculosis adenosine-5’-phosphosulfate reductase.” J. Med. Chem. 2009, 52(17), 5485-95. [PubMed Link]

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Cosconati, S.; Hong, J. A.; Novellino, E.; Carroll, K. S.; Goodsell, D. S.; Olson, A. J. “Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5’-phosphosulfate reductase inhibitors.” J. Med. Chem. 2008, 51(21), 6627-30. [PubMed Link]

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Chang, M. W.; Belew, R. K.; Carroll K. S.; Olson, A. J.; Goodsell, D. S. “Empirical entropic contributions in computational docking: evaluation in APS reductase complexes.” J. Comput. Chem. 2008, 29(11), 1753-61. [PubMed Link]

Chartron, J.; Shiau, Cl; Stout, C. D.; Carroll, K. S. “3’-Phosphoadenosine-5’-phosphosulfate reductase in complex with thioredoxin: a sructural snapshot in the catalytic cycle.” Biochemistry. 2007, 18(2), 167-78. [PubMed Link]

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Gao, H.; Leary, J.; Carroll, K. S.; Bertozzi, C. R., Chen. H. “Noncovalent complexes of APS reductase from M. tuberculosis: delineating a mechanistic model using ESI-FTICR MS.” J. Am. Soc. Mass. Spectrom. 2007, 18(2), 167-78. [PubMed Link]

Chartron, J.; Carroll, K. S.; Shiau, C.; Gao, H.; Leary, J. A.; Bertozzi, C. R.; Stout, C. D. “Substrate recognition, protein dynamics, and iron-sulfur cluster in Pseudomonas aeruginosa adenosine 5’-phosphosulfate reductase.” J. Mol. Biol. 2006, 364(2), 152-69. [PubMed Link]

Carroll, K. S.; Gao, H.; Chen, H.; Leary, J. A.; Bertozzi, C. R. “Investigation of the iron-sulfur cluster in Mycobacterium tuberculosis APS reductase: implication for substrate binding and catalysis.” Biochemistry. 2005, 44(44), 14647-57. [PubMed Link]

Carroll, K. S.; Gao, H.; Chen, H.; Stout, C. D.; Leary, J. A.; Bertozzi, C. R. “A conserved mechanism for sulfonucleotide reduction.” PLoS Biol. 2005, 3(8), e250. [PubMed Link]