Robert McKenna

Summary

Affiliation: University of Florida
Country: USA

Publications

  1. pmc X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes
    S Zoe Fisher
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 62:618-22. 2006
  2. doi request reprint Carbonic anhydrase inhibitors drug design
    Robert McKenna
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, USA
    Subcell Biochem 75:291-323. 2014
  3. doi request reprint Overview of the carbonic anhydrase family
    Robert McKenna
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, USA
    Subcell Biochem 75:3-5. 2014
  4. doi request reprint Anticonvulsant/antiepileptic carbonic anhydrase inhibitors: a patent review
    Mayank Aggarwal
    University of Florida, Department of Biochemistry and Molecular Biology, College of Medicine, 1600 SW Archer Rd, PO Box 100245, Gainesville, FL 32610, USA
    Expert Opin Ther Pat 23:717-24. 2013
  5. doi request reprint Update on carbonic anhydrase inhibitors: a patent review (2008 - 2011)
    Mayank Aggarwal
    University of Florida, College of Medicine, Department of Biochemistry and Molecular Biology, 1600 SW Archer Rd, PO Box 100245, Gainesville, FL 32610, USA
    Expert Opin Ther Pat 22:903-15. 2012
  6. ncbi request reprint Structural and kinetic characterization of active-site histidine as a proton shuttle in catalysis by human carbonic anhydrase II
    Zoe Fisher
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida 32610, USA
    Biochemistry 44:1097-105. 2005
  7. ncbi request reprint Speeding up proton transfer in a fast enzyme: kinetic and crystallographic studies on the effect of hydrophobic amino acid substitutions in the active site of human carbonic anhydrase II
    S Zoe Fisher
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida 32610 0267, USA
    Biochemistry 46:3803-13. 2007
  8. ncbi request reprint Structural insights and functional implications of choline acetyltransferase
    Lakshmanan Govindasamy
    Department of Biochemistry and Molecular Biology, McKnight Brain Institute and University of Florida, Gainesville, FL 32610, USA
    J Struct Biol 148:226-35. 2004
  9. pmc Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis
    Peng Liu
    Department of Biochemistry and Molecular Biology, University of Florida, College of Medicine, Gainesville, Florida 32610 0245, USA
    Biochemistry 48:4086-99. 2009
  10. pmc Kinetic and crystallographic studies of the role of tyrosine 7 in the active site of human carbonic anhydrase II
    Rose Mikulski
    Department of Pharmacology, University of Florida, Gainesville, FL 32610, USA
    Arch Biochem Biophys 506:181-7. 2011

Collaborators

Detail Information

Publications70

  1. pmc X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes
    S Zoe Fisher
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 62:618-22. 2006
    ..The structures presented here reveal that these spacer groups allow novel binding modes for the thiadiazole moiety compared with conventional CAIs...
  2. doi request reprint Carbonic anhydrase inhibitors drug design
    Robert McKenna
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, USA
    Subcell Biochem 75:291-323. 2014
    ..Promising compounds that inhibit CAs from bacterial and fungal pathogens, of the dithiocarbamate, phenol and carboxylate types have also been reported...
  3. doi request reprint Overview of the carbonic anhydrase family
    Robert McKenna
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL, USA
    Subcell Biochem 75:3-5. 2014
    ....
  4. doi request reprint Anticonvulsant/antiepileptic carbonic anhydrase inhibitors: a patent review
    Mayank Aggarwal
    University of Florida, Department of Biochemistry and Molecular Biology, College of Medicine, 1600 SW Archer Rd, PO Box 100245, Gainesville, FL 32610, USA
    Expert Opin Ther Pat 23:717-24. 2013
    ..One indirect pathway for the treatment of epilepsy includes the inhibition of carbonic anhydrase (CA), thereby increasing CO(2) levels in the brain...
  5. doi request reprint Update on carbonic anhydrase inhibitors: a patent review (2008 - 2011)
    Mayank Aggarwal
    University of Florida, College of Medicine, Department of Biochemistry and Molecular Biology, 1600 SW Archer Rd, PO Box 100245, Gainesville, FL 32610, USA
    Expert Opin Ther Pat 22:903-15. 2012
    ..In addition, CA isozyme IX (CA IX) has been shown to play a critical role in cancer proliferation, with CA IX overexpression in certain types of cancers leading to its use as a biomarker for cancer diagnosis and prognosis...
  6. ncbi request reprint Structural and kinetic characterization of active-site histidine as a proton shuttle in catalysis by human carbonic anhydrase II
    Zoe Fisher
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida 32610, USA
    Biochemistry 44:1097-105. 2005
    ....
  7. ncbi request reprint Speeding up proton transfer in a fast enzyme: kinetic and crystallographic studies on the effect of hydrophobic amino acid substitutions in the active site of human carbonic anhydrase II
    S Zoe Fisher
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida 32610 0267, USA
    Biochemistry 46:3803-13. 2007
    ..Finally, the difference in pKa of the donor and acceptor appears favorable for proton transfer. The data suggest roles for residues 7, 62, and 67 in fine-tuning the properties of His64 for optimal proton transfer in catalysis...
  8. ncbi request reprint Structural insights and functional implications of choline acetyltransferase
    Lakshmanan Govindasamy
    Department of Biochemistry and Molecular Biology, McKnight Brain Institute and University of Florida, Gainesville, FL 32610, USA
    J Struct Biol 148:226-35. 2004
    ..This structure, with the modeled substrate binding, provides critical insights into the molecular basis for the production of acetylcholine and may further our understanding of disease causing mutations...
  9. pmc Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis
    Peng Liu
    Department of Biochemistry and Molecular Biology, University of Florida, College of Medicine, Gainesville, Florida 32610 0245, USA
    Biochemistry 48:4086-99. 2009
    ..Modeling studies were conducted using a series of peptidomimetic inhibitors (compounds 1-6, Table 3) and three plasmepsins: the crystal structure of PfPM2, and homology derived models of PfPM1 and PfPM4...
  10. pmc Kinetic and crystallographic studies of the role of tyrosine 7 in the active site of human carbonic anhydrase II
    Rose Mikulski
    Department of Pharmacology, University of Florida, Gainesville, FL 32610, USA
    Arch Biochem Biophys 506:181-7. 2011
    ..Differential scanning calorimetry showed variants at position 7 had a melting temperature approximately 8 °C lower than that of the wild type...
  11. ncbi request reprint Human carbonic anhydrase III: structural and kinetic study of catalysis and proton transfer
    David M Duda
    Departments of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida 32610, USA
    Biochemistry 44:10046-53. 2005
    ..This suggests that sites of activation of the proton-transfer pathway in carbonic anhydrase are closer to the zinc than considered in previous studies...
  12. doi request reprint Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
    Katherine H Sippel
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr D Biol Crystallogr 64:1172-8. 2008
    ..Therefore, the I3C reagent offers an alternative, quick and inexpensive method for in-house phasing of de novo structures where other methods may not be successful...
  13. pmc Structure of adeno-associated virus serotype 8, a gene therapy vector
    Hyun Joo Nam
    Department of Biochemistry and Molecular Biology, Center for Structural Biology, McKnight Brain Institute, University of Florida, Gainesville, FL 32610, USA
    J Virol 81:12260-71. 2007
    ..Thus, this AAV8 structure provides an additional platform for mutagenesis efforts to characterize AAV capsid regions responsible for differential cellular tropism, transduction, and antigenicity for these promising gene therapy vectors...
  14. pmc Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II
    Jiayin Zheng
    Department of Pharmacology and Therapeutics, College of Medicine, University of Florida, Gainesville, Florida 32610, USA
    Biochemistry 47:12028-36. 2008
    ..These results emphasize the roles of the residues of the hydrophilic side of the active site cavity in maintaining efficient catalysis by carbonic anhydrase...
  15. pmc Effects of cryoprotectants on the structure and thermostability of the human carbonic anhydrase II-acetazolamide complex
    Mayank Aggarwal
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, 1600 SW Archer Road, PO Box 100245, Gainesville, FL 32610, USA
    Acta Crystallogr D Biol Crystallogr 69:860-5. 2013
    ..However, addition of GOL does affect the kinetics of CA II, presumably as it displaces the water proton-transfer network in the active site...
  16. pmc Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II
    John F Domsic
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610, USA
    Biochemistry 49:6394-9. 2010
    ..These data emphasize that the active site of HCA II is extended to include residues that, at first glance, appear to be too far from the zinc to exert any catalytic effects...
  17. ncbi request reprint Structural and mutational characterization of L-carnitine binding to human carnitine acetyltransferase
    Lakshmanan Govindasamy
    Biochemistry and Molecular Biology, University of Florida and The McKnight Brain Institute, 1600 Archer Rd, Gainesville, FL 32610, USA
    J Struct Biol 146:416-24. 2004
    ..Site-directed mutagenesis and kinetic characterization reveals that Tyr(431), Thr(444), Arg(497), and Phe(545) are essential for high affinity binding of L-carnitine...
  18. pmc Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
    Caroli Genis
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida 32610, USA
    Biochemistry 48:1322-31. 2009
    ..This preliminary study demonstrates that the CA IX mimic may provide a useful model to design more isozyme-specific CA IX inhibitors, which may lead to development of new therapeutic treatments of some cancers...
  19. pmc Crystallization and preliminary X-ray analysis of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae
    Amrita Madabushi
    Department of Biochemistry and Molecular Biology, University of Florida, College of Medicine, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 61:228-31. 2005
    ..Elucidation of the structure of PmPM4 in complex with inhibitors may be paramount to producing new antimalarial therapeutic agents...
  20. ncbi request reprint Proton transfer in a Thr200His mutant of human carbonic anhydrase II
    Deepa Bhatt
    Department of Pharmacology and Therapeutics University of Florida, Gainesville, Florida 32610 0245, USA
    Proteins 61:239-45. 2005
    ..This study establishes that a histidine directly hydrogen-bonded to the zinc-bound hydroxide, can adopt the correct distance geometry to support proton transfer..
  21. pmc Structural and kinetic effects on changes in the CO(2) binding pocket of human carbonic anhydrase II
    Dayne West
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, Florida 32610, United States
    Biochemistry 51:9156-63. 2012
    ....
  22. pmc Water networks in fast proton transfer during catalysis by human carbonic anhydrase II
    Rose Mikulski
    Department of Pharmacology, University of Florida, Gainesville, FL 32610, USA
    Biochemistry 52:125-31. 2013
    ..This study provides the clearest example to date of the relevance of ordered water structure to rate constants for proton transfer in catalysis by carbonic anhydrase...
  23. pmc A short, strong hydrogen bond in the active site of human carbonic anhydrase II
    Balendu Sankara Avvaru
    Department of Biochemistry and Molecular Biology, Universityof Florida, Gainesville, Florida 32610, USA
    Biochemistry 49:249-51. 2010
    ..In addition, this short, strong hydrogen bond is expected to contribute to the low pK(a) of the zinc-bound water and to promote proton transfer in catalysis...
  24. ncbi request reprint Atomic crystal and molecular dynamics simulation structures of human carbonic anhydrase II: insights into the proton transfer mechanism
    S Zoe Fisher
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida 32610, USA
    Biochemistry 46:2930-7. 2007
    ....
  25. pmc Structural insights into the extracytoplasmic thiamine-binding lipoprotein p37 of Mycoplasma hyorhinis
    Katherine H Sippel
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, FL 32610, USA
    J Bacteriol 191:2585-92. 2009
    ....
  26. ncbi request reprint The refined atomic structure of carbonic anhydrase II at 1.05 A resolution: implications of chemical rescue of proton transfer
    David Duda
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr D Biol Crystallogr 59:93-104. 2003
    ..This structure presents the highest resolution structure of a carbonic anhydrase isozyme so far determined and adds to the understanding of proton-transfer processes...
  27. pmc Structural characterization of the dual glycan binding adeno-associated virus serotype 6
    Robert Ng
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610 0266, USA
    J Virol 84:12945-57. 2010
    ....
  28. pmc Role of Trp19 and Tyr200 in catalysis by the γ-class carbonic anhydrase from Methanosarcina thermophila
    Sabrina Zimmerman
    Department of Biochemistry and Molecular Biology, Pennsylvania State University, University Park, PA 16802, USA
    Arch Biochem Biophys 529:11-7. 2013
    ..Trp19 is important for both CO(2)/bicarbonate interconversion, and the proton transfer step of catalysis...
  29. doi request reprint Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases
    Melissa A Pinard
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Box 100245, Gainesville, FL 32610, USA
    Bioorg Med Chem 21:7210-5. 2013
    ....
  30. doi request reprint Crystallographic evidence for noncoplanar catalytic aspartic acids in plasmepsin II resides in the Protein Data Bank
    Arthur H Robbins
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr D Biol Crystallogr 65:294-6. 2009
    ..9 A resolution published diffraction data to an R(cryst) of 21.2% and an R(free) of 22.2%. The catalytic water molecule is present, but the plane of the carboxylate group of Asp214 is rotated by 66 degrees from its original position...
  31. pmc Structure of the unbound form of HIV-1 subtype A protease: comparison with unbound forms of proteases from other HIV subtypes
    Arthur H Robbins
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr D Biol Crystallogr 66:233-42. 2010
    ..The amino-acid differences between the subtypes and their respective crystal space groups are discussed in terms of the differences in the flap conformations...
  32. pmc Location of binding sites in small molecule rescue of human carbonic anhydrase II
    Deepa Bhatt
    Department of Pharmacology and Therapeutics, College of Medicine, University of Florida, Gainesville, Florida, USA
    Biophys J 92:562-70. 2007
    ....
  33. pmc Structure and catalysis by carbonic anhydrase II: role of active-site tryptophan 5
    Rose Mikulski
    Department of Pharmacology and Therapeutics, University of Florida, Gainesville, United States
    Arch Biochem Biophys 516:97-102. 2011
    ....
  34. doi request reprint Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors
    Balendu Sankara Avvaru
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Box Gainesville, FL 32610, USA
    Bioorg Med Chem Lett 20:4376-81. 2010
    ....
  35. pmc Structure and dynamics of adeno-associated virus serotype 1 VP1-unique N-terminal domain and its role in capsid trafficking
    Balasubramanian Venkatakrishnan
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, Florida, USA
    J Virol 87:4974-84. 2013
    ....
  36. pmc Structural characterization of H-1 parvovirus: comparison of infectious virions to empty capsids
    Sujata Halder
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, Florida, USA
    J Virol 87:5128-40. 2013
    ....
  37. doi request reprint Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation
    Jose C Clemente
    Department of Biochemistry and Molecular Biology, University of Florida College of Medicine, Gainesville, Florida 32610, USA
    J Med Chem 51:852-60. 2008
    ..Moreover, scrutiny of the X-ray structure suggests that the ring of the Cha side chain might be in a boat rather than in the chair conformation, a result supported by molecular dynamics simulations...
  38. pmc Production, purification, crystallization and preliminary X-ray structural studies of adeno-associated virus serotype 5
    Michael DiMattia
    Department of Biochemistry and Molecular Biology, McKnight Brain Institute, Center for Structural Biology, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 61:917-21. 2005
    ..The orientation and position of the viral capsid in the asymmetric unit have been determined by rotation and translation functions, respectively, and the AAV5 structure determination is in progress...
  39. pmc Production, purification and preliminary X-ray crystallographic studies of adeno-associated virus serotype 7
    Odayme Quesada
    Department of Biochemistry and Molecular Biology, McKnight Brain Institute, Center for Structural Biology, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 63:1073-6. 2007
    ..The orientation of the viral capsid has been determined by rotation-function searches and is positioned at (0, 0, 0) by packing considerations...
  40. pmc Heparin binding induces conformational changes in Adeno-associated virus serotype 2
    Hazel C Levy
    Department of Biochemistry and Molecular Biology, Center for Structural Biology, The McKnight Brain Institute, College of Medicine, 1600 SW Archer Road, P O Box 100245, University of Florida, Gainesville, FL 32610, USA
    J Struct Biol 165:146-56. 2009
    ..Ordered density in the interior of the capsid in the AAV2-heparin complex was interpreted as nucleic acid, consistent with the presence of non-viral DNA in the expressed capsids...
  41. pmc Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II
    Balendu Sankara Avvaru
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610, USA
    Arch Biochem Biophys 502:53-9. 2010
    ..5 to an octahedral geometry characteristic of the oxidized enzyme Co(III)-HCA II at pH 6.0...
  42. ncbi request reprint Structural determination of a partially hemihedrally twinned actin crystal
    Lakshmanan Govindasamy
    Department of Biochemistry and Molecular Biology, McKnight Brain Institute, University of Florida College of Medicine, Gainesville, Florida 32601, USA
    Acta Crystallogr D Biol Crystallogr 60:1040-7. 2004
    ....
  43. ncbi request reprint Expression, purification, kinetic, and structural characterization of an alpha-class carbonic anhydrase from Aedes aegypti (AaCA1)
    S Zoe Fisher
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, FL 32610, USA
    Biochim Biophys Acta 1764:1413-9. 2006
    ..These results also indicate that amino acid differences in the active site of AaCA1 compared to human CAs could be used to design specific CA inhibitors for the management of mosquito populations...
  44. ncbi request reprint Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor
    Jose C Clemente
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, USA
    Acta Crystallogr D Biol Crystallogr 62:246-52. 2006
    ..Inhibition analysis of PmPM4 also suggests the potential for allophenylnorstatine-based compounds to be effective against all species of malaria infecting humans and for the future development of a broad-based inhibitor...
  45. pmc Insights towards sulfonamide drug specificity in α-carbonic anhydrases
    Mayank Aggarwal
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, 1600 SW Archer Rd, PO Box 100245, Gainesville, FL 32610, USA
    Bioorg Med Chem 21:1526-33. 2013
    ..The focus of this article is on CA IX inhibition and two different structural approaches to CA isoform specific drug designing: tail approach and fragment addition approach...
  46. pmc Structural insights into adeno-associated virus serotype 5
    Lakshmanan Govindasamy
    Department of Biochemistry and Molecular Biology, Center for Structural Biology, McKnight Brain Institute, College of Medicine, University of Florida, Gainesville, Florida, USA
    J Virol 87:11187-99. 2013
    ..This structure provided a three-dimensional (3D) template for functional annotation of the AAV5 capsid with respect to regions that confer assembly efficiency, dictate cellular transduction phenotypes, and control antigenicity. ..
  47. pmc Structural insight into the unique properties of adeno-associated virus serotype 9
    Michael A DiMattia
    Department of Biochemistry and Molecular Biology, Center for Structural Biology, McKnight Brain Institute, College of Medicine, University of Florida, Gainesville, Florida, USA
    J Virol 86:6947-58. 2012
    ..Hence, the AAV9 VRs likely confer the unique infection phenotypes of this serotype...
  48. ncbi request reprint Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III
    Ileana Elder
    Department of Pharmacology and Therapeutics, University of Florida College of Medicine, Gainesville, Florida 32610 0267, USA
    Proteins 68:337-43. 2007
    ..These results emphasize the significance of side chain orientation and range of available conformational states as characteristics of an efficient proton shuttle in carbonic anhydrase...
  49. ncbi request reprint Solvent-mediated proton transfer in catalysis by carbonic anhydrase
    David N Silverman
    Department of Pharmacology and Therapeutics, University of Florida College of Medicine, Gainesville, Florida 32610, USA
    Acc Chem Res 40:669-75. 2007
    ..These features combine to provide efficient proton-transfer rates as great as 10(6) s(-1) necessary to sustain rapid catalysis...
  50. pmc Insights into Mycoplasma genitalium metabolism revealed by the structure of MG289, an extracytoplasmic thiamine binding lipoprotein
    Katherine H Sippel
    Department of Biochemistry and Molecular Biology, College of Medicine, Gainesville, Florida 32610, USA
    Proteins 79:528-36. 2011
    ..These results provide a baseline to build our understanding of the minimal metabolic requirements of a living organism...
  51. doi request reprint Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms
    Shyamasri Biswas
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Box 100245, Gainesville, FL 32610, USA
    Bioorg Med Chem 19:3732-8. 2011
    ..e., isoforms II and VII) being also useful to design high affinity, more selective sulfonamide inhibitors of various CAs...
  52. pmc Capsid antibodies to different adeno-associated virus serotypes bind common regions
    Brittney L Gurda
    Deptartment of Biochemistry and Molecular Biology, University of Florida, Gainesville, Florida, USA
    J Virol 87:9111-24. 2013
    ..The AAV-antibody interactions showed a common set of footprints that overlapped some known receptor-binding sites and transduction determinants, thus suggesting potential mechanisms for virus neutralization by the antibodies. ..
  53. pmc Entrapment of carbon dioxide in the active site of carbonic anhydrase II
    John F Domsic
    Department of Biochemistry and Molecular Biology, University of Florida, Gainesville, Florida 32610, USA
    J Biol Chem 283:30766-71. 2008
    ..This method may also have a much broader implication for the study of other enzymes for which CO(2) is a substrate or product and for the capturing of transient substrates and revealing hydrophobic pockets in proteins...
  54. ncbi request reprint Actin crystal dynamics: structural implications for F-actin nucleation, polymerization, and branching mediated by the anti-parallel dimer
    Robbie Reutzel
    Department of Biochemistry and Molecular Biology, University of Florida College of Medicine, Gainesville, FL 32610, USA
    J Struct Biol 146:291-301. 2004
    ..The dimer and trimer actin rearrangements observed between the three crystal systems may provide insight to in vivo actin-actin interactions that occur during the nucleation, polymerization, and branching of F-actin...
  55. doi request reprint Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase
    Patrick S Quint
    Department of Pharmacology and Therapeutics, University of Florida, Gainesville, FL 32610, USA
    Biochemistry 47:4621-8. 2008
    ..These results suggest that Glu162 at the tetrameric interface in human MnSOD supports stability and efficient catalysis and has a significant role in regulating product inhibition...
  56. ncbi request reprint Comparing the accumulation of active- and nonactive-site mutations in the HIV-1 protease
    Jose C Clemente
    Department of Biochemistry and Molecular Biology, University of Florida College of Medicine, Gainesville, Florida 32610, USA
    Biochemistry 43:12141-51. 2004
    ..Structural changes are also seen in the 10's and 30's loops, which suggest possible changes in the dynamics of flap opening and closing...
  57. pmc Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond
    Christopher D Boone
    Department of Biochemistry and Molecular Biology, University of Florida, PO Box 100245, Gainesville, FL 32610, USA
    Acta Crystallogr D Biol Crystallogr 69:1414-22. 2013
    ..Together, these studies have shown that dsHCAII has properties that could be used in an industrial setting to help to lower costs and improve the overall reaction efficiency. ..
  58. ncbi request reprint Proton transfer from exogenous donors in catalysis by human carbonic anhydrase II
    Ileana Elder
    Department of Pharmacology and Therapeutics, University of Florida College of Medicine, Gainesville, FL 32610 0267, USA
    Arch Biochem Biophys 437:106-14. 2005
    ..These experiments along with previously reported crystallographic and catalytic data help identify a range of distances at which proton transfer is efficient in carbonic anhydrase II...
  59. pmc Structurally mapping the diverse phenotype of adeno-associated virus serotype 4
    Lakshmanan Govindasamy
    Department of Biochemistry and Molecular Biology, Center for Structural Biology, The McKnight Brain Institute, College of Medicine, University of Florida, Gainesville, FL 32610, USA
    J Virol 80:11556-70. 2006
    ..This observation suggests that these capsid regions may also play similar roles in the other AAV serotypes...
  60. pmc Production, purification and preliminary X-ray crystallographic studies of adeno-associated virus serotype 1
    Edward B Miller
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 62:1271-4. 2006
    ..0 A resolution and the structure determination and refinement is in progress using tenfold noncrystallographic symmetry electron-density averaging...
  61. ncbi request reprint Kinetic analysis of multiple proton shuttles in the active site of human carbonic anhydrase
    Chingkuang Tu
    Department of Pharmacology and Therapeutics, University of Florida College of Medicine, Gainesville, Florida 32610 0267, USA
    J Biol Chem 277:38870-6. 2002
    ..This suggests a cause of decreased proton transfer in catalysis...
  62. pmc Evidence for pH-dependent protease activity in the adeno-associated virus capsid
    Maxim Salganik
    Department of Molecular Genetics and Microbiology, University of Florida College of Medicine, Gainesville, Florida, USA
    J Virol 86:11877-85. 2012
    ..Further, it appears that acidic pHs comparable to those seen in late endosomes induce a structural change in the capsid that induces autolytic protease activity. The pH-dependent protease activity may have a role in viral infection...
  63. ncbi request reprint Crystallization and preliminary X-ray crystallographic studies on recombinant rat choline acetyltransferase
    Wei Lian
    Department of Medicinal Chemistry, McKnight Brain Institute and University of Florida, Gainesville, Florida 32610, USA
    Acta Crystallogr D Biol Crystallogr 60:374-5. 2004
    ..It is expected that in the near future the structure of rChAT will be obtained using molecular-replacement methods. Elucidation of the structure of rChAT will aid in the development of therapeutic agents for Alzheimer's disease...
  64. doi request reprint Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency
    Fabio Pacchiano
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Box 100245, Gainesville, Florida 32610, USA
    Chem Commun (Camb) 46:8371-3. 2010
    ..Hydrophobic interactions between the scaffold of the inhibitors in different hydrophobic pockets of the enzyme were observed, explaining the diverse inhibitory range of these derivatives...
  65. doi request reprint Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII
    Shyamasri Biswas
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Box 100245, Gainesville, FL 32610, USA
    Bioorg Med Chem Lett 23:5646-9. 2013
    ..This different behavior with respect to acetazolamide (a promiscuous inhibitor of all these isoforms) has been explained by resolving the crystal structure, and may be used to design more isoform-selective compounds. ..
  66. pmc Adeno-associated virus capsid proteins may play a role in transcription and second-strand synthesis of recombinant genomes
    Maxim Salganik
    Department of Molecular Genetics and Microbiology, University of Florida College of Medicine, Gainesville, Florida, USA
    J Virol 88:1071-9. 2014
    ..Our experiments have identified a novel capsid function. They suggest that AAV capsids may play a role in the initiation of both second-strand synthesis and transcription of the input genome. ..
  67. pmc High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design
    Katherine H Sippel
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 65:992-5. 2009
    ..The co-binding of AZM and glycerol in the active site demonstrate that given an appropriate ring orientation and substituents, an isozyme-specific CA inhibitor may be developed...
  68. pmc Production, purification, crystallization and preliminary X-ray analysis of adeno-associated virus serotype 8
    Michael Douglas Lane
    Department of Biochemistry and Molecular Biology, Center for Structural Biology, McKnight Brain Institute, University of Florida, Gainesville, FL 32610, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 61:558-61. 2005
    ..5, c = 443.5 A. The unit cell contains two viral particles, with ten capsid viral protein monomers per crystallographic asymmetric unit...
  69. pmc Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations
    Jason Wagner
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Box 100245, Gainesville, FL 32610, USA
    Bioorg Med Chem 18:4873-8. 2010
    ....
  70. doi request reprint Structural annotation of human carbonic anhydrases
    Mayank Aggarwal
    Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, FL 32610, USA
    J Enzyme Inhib Med Chem 28:267-77. 2013
    ..This review highlights the structural similarity and stability comparison among hCAs...