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2008
• Arakaki TL, Buckner FS, Gillespie JR, Malmquist NA, Phillips MA, Kalyuzhniy O, Luft JR, Detitta GT, Verlinde CL, Van Voorhis WC, Hol WG, Merritt EA. Characterization of Trypanosoma brucei dihydroorotate dehydrogenase as a possible drug target; structural, kinetic and RNAi studies. Mol Microbiol. 2008 Apr;68(1):37-50. [PubMed]
• Fox BG, Goulding C, Malkowski MG, Stewart L, Deacon A. Structural genomics: from genes to structures with valuable materials and many questions in between. Nat Methods. 2008 Feb;5(2):129-32. [PubMed]
• Kempkes R, Stofko E, Lam K, Snell EH. Glycerol concentrations required for the successful vitrification of cocktail conditions in a high-throughput crystallization screen. Acta Crystallogr D Biol Crystallogr. 2008 Mar;64(Pt 3):287-301. [PubMed]
• Xu H, Weeks CM. Rapid and automated substructure solution by Shake-and-Bake. Acta Crystallogr D Biol Crystallogr. 2008 Feb;64(Pt 2):172-7. [PubMed]
• Zappe H, Snell M.E., Bossard M.J. PEGylation of cyanovirin-N, an entry inhibitor of HIV. 2008 Jan 3; 60(1) : 79-87. [PubMed]
2007
• Arakaki T, Neely H, Boni E, Mueller N, Buckner FS, Van Voorhis WC, Lauricella A, DeTitta G, Luft J, Hol WG, Merritt EA. The structure of Plasmodium vivax phosphatidylethanolamine-binding protein suggests a functional motif containing a left-handed helix. Acta Crystallograph Sect F Struct Biol Cryst Commun. 2007 Mar 1;63(Pt 3):178-82. [PubMed]
• Brucz K, Miknis ZJ, Schultz LW, Umland TC. Expression, purification and characterization of recombinant severe acute respiratory syndrome coronavirus non-structural protein 1. Protein Expr Purif. 2007 Apr;52(2):249-57. [PubMed]
• Cody V, Davis PJ, Davis FB. Molecular modeling of the thyroid hormone interactions with alpha v beta 3 integrin. Steroids. 2007 Feb;72(2):165-70. [PubMed]
• Deng X, Habel JE, Kabaleeswaran V, Snell EH, Wold MS, Borgstahl GE. Structure of the full-length human RPA14/32 complex gives insights into the mechanism of DNA binding and complex formation. J Mol Biol. 2007 Dec 7;374(4):865-76. [PubMed]
• Dollins DE, Warren JJ, Immormino RM, Gewirth DT. Structures of GRP94-nucleotide complexes reveal mechanistic differences between the hsp90 chaperones. Mol Cell. 2007 Oct 12;28(1):41-56. [PubMed]
• Drake EJ, Cao J, Qu J, Shah MB, Straubinger
RM, Gulick AM. The 1.8 angstrom crystal structure of PA2412, an
MbtH-like protein from the pyoverdine cluster of Pseudomonas aeruginosa. J
Biol Chem. 2007Jul 13;282 (28):20425-34. [PubMed]
• Ghosh D.. Human sulfatases: A structural perspective to catalysis.
Cell Mol Life Sci. 2007 Aug;64(15): 2013-22 [PubMed]
• Ghosh D, Griswold JB, Bevilacqua T, Gonzalez-Fernandez F. Purification of the full-length Xenopus interphotoreceptor retinoid binding protein and growth of diffraction-quality crystals. Mol Vis. 2007 Dec 13;13:2275-81. [PubMed]
• Gonzalez-Fernandez F, Baer CA , Ghosh D. Module structure of interphotoreceptor retinoid-binding protein (IRBP) may provide bases for its complex role in the visual cycle - structure / function study of Xenopus IRBP. BMC Biochem. 2007 Aug 4;8(1):15 [PubMed]
• Juers DH, Lovelace J, Bellamy HD, Snell EH, Matthews BW, Borgstahl GE. Changes to crystals of Escherichia coli beta-galactosidase during room-temperature/low-temperature cycling and their relation to cryo-annealing. Acta Crystallogr D Biol Crystallogr. 2007 Nov;63(Pt 11):1139-53. [PubMed]
• Luft JR, Wolfley JR, Said MI, Nagel RM, Lauricella AM, Smith JL, Thayer MH, Veatch CK, Snell EH, Malkowski MG, Detitta GT. Efficient optimization of crystallization conditions by manipulation of drop volume ratio and temperature. Protein Sci. 2007 Apr;16(4):715-22. [PubMed]
• Malkowski MG, Quartley E, Friedman AE, Babulski J, Kon Y, Wolfley J, Said M, Luft JR, Phizicky EM, DeTitta GT, Grayhack EJ. Blocking S-adenosylmethionine synthesis in yeast allows selenomethionine incorporation and multiwavelength anomalous dispersion phasing. Proc Natl Acad Sci U S A. 2007 Apr 17;104(16):6678-83. [PubMed]
• Mao Q, Duax WL, Umland TC. Crystallization and X-ray diffraction analysis of the beta-ketoacyl-acyl carrier protein reductase FabG from Aquifex aeolicus VF5. Acta Crystallograph Sect F Struct Biol Cryst Commun. 2007 Feb 1;63(Pt 2):106-9. [PubMed]
• Miller R, Shah N, Green ML, Furey W, Weeks CM. Shake-and-Bake on the grid. J. Appl. Cryst. 2007 Oct;40(Pt 5):938-44. [URL link]
• Olczak A, Glowka ML, Szczesio M, Bojarska J, Duax WL, Burkhart BM, Wawrzak Z. Nonstoichiometric complex of gramicidin D with KI at 0.80 A resolution. Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):319-27. [PubMed]
• Pletnev V, Huether R, Habegger L, Schultz W,
Duax W. Rational
proteomics of PKD1. I. Modeling the three dimensional
structure and ligand specificity of the C_lectin binding domain of Polycystin-1. J
Mol Model. 2007 Aug;13(8):891-896.
[URL link]
• Pletneva N, Pletnev V, Tikhonova T, Pakhomov A, Popov V, Martynov V, Wlodawer A, Dauter Z, Pletnev S., Refined crystal structures of red and green fluorescent proteins from button polyp Zoanthus. Acta Crystallogr D Biol Crystallogr. 2007 Oct;63(Pt 10):1082-1093. [URL link]
• Pletneva NV, Pletnev SV, Chudakov DM, Tikhonova TV, Popov VO, Martynov VI, Wlodawer A, Dauter Z, Pletnev VZ. Three-dimensional structure of yellow fluorescent protein zYFP538 from Zoanthus sp. at the resolution 1.8 angstrom. Bioorg Khim. 2007 Jul-Aug;33(4):421-30. [PubMed]
• Reger AS, Carney JM, Gulick AM. Biochemical and Crystallographic Analysis of Substrate Binding and Conformational Changes in Acetyl-CoA Synthetase. Biochemistry. 2007 June 5;46(22):6536-46. [PubMed]
• Smith AB, Xu H, Sahinidis NV. An integer minimal principle and triplet sieve method for phasing centrosymmetric structures. Acta Cryst. A, 2007 Mar;63(Pt 2):164-71. [URL link]
• Snell EH, Bellamy HD, Rosenbaum G, van der Woerd MJ. Non-invasive measurement of X-ray beam heating on a surrogate crystal sample. J Synchrotron Radiat. 2007 Jan;14(Pt 1):109-15. [PubMed]
• Thomas JL, Huether R, Mack VL, Scaccia LA, Stoner RC, Duax WL. Structure/function of human type 1 3beta-hydroxysteroid dehydrogenase: An intrasubunit disulfide bond in the Rossmann-fold domain and a Cys residue in the active site are critical for substrate and coenzyme utilization. J Steroid Biochem Mol Biol. 2007 Oct;107(1-2):80-7. [PubMed]
• Weeks CM, Furey W. Application of direct methods to macromolecular structure solution. In Macromolecular Crystallography: Conventional and High-Throughput Methods – A Practical Approach, edited by M. Sanderson & J. Skelly. Oxford: Oxford University Press, pp.129-141 (2007). [description]
• Wu R, Reger AS, Cao J, Gulick AM, Dunaway-Mariano D. Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range. Biochemistry. 2007 Dec 18;46(50):14487-99. [PubMed]
2006
• Arakaki T, Le Trong I, Phizicky E, Quartley E, DeTitta G, Luft J, Lauricella A, Anderson L, Kalyuzhniy O, Worthey E, Myler PJ, Kim D, Baker D, Hol WG, Merritt EA. Structure of Lmaj006129AAA, a hypothetical protein from Leishmania major. Acta Crystallograph Sect F Struct Biol Cryst Commun. 2006 Mar 1;62(Pt 3):175-9.
• Bosch J, Robien MA, Mehlin C, Boni E, Riechers A, Buckner FS, Van Voorhis WC, Myler PJ, Worthey EA, DeTitta G, Luft JR, Lauricella A, Gulde S, Anderson LA, Kalyuzhniy O, Neely HM, Ross J, Earnest TN, Soltis M, Schoenfeld L, Zucker F, Merritt EA, Fan E, Verlinde CL, Hol WG. Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J Med Chem. 2006 Oct 5;49(20):5939-46.
• Caruthers J, Bosch J, Buckner F, Van Voorhis W, Myler P, Worthey E, Mehlin C, Boni E, DeTitta G, Luft J, Lauricella A, Kalyuzhniy O, Anderson L, Zucker F, Soltis M, Hol WG. Structure of a ribulose 5-phosphate 3-epimerase from Plasmodium falciparum. Proteins. 2006 Feb 1;62(2):338-42.
• Cody V, Schwalbe CH. Structural characteristics of antifolate dihydrofolate reductase enzyme interactions. Crystallography Reviews. 2006 Oct;12(4):301-33.
• Cody V, Pace J, Chisum K, Rosowsky A. New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions. Proteins. 2006 Dec1;65(4):959-69.
• Drake EJ, Nicolai DA, Gulick AM. Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain. Chem Biol. 2006 Apr;13(4):409-19.
• Ericsson UB, Hallberg BM, DeTitta GT, Dekker N, Nordlund P. Thermofluor-based high-throughput stability optimization of proteins for structural studies. Anal Biochem. 2006 Oct 15;357(2):289-98.
• He H, Zatorska D, Kim J, Aguirre J, Llauger L, She Y, Wu N, Immormino RM, Gewirth DT, Chiosis G. Identification of potent water soluble purine-scaffold inhibitors of the heat shock protein 90. J Med Chem. 2006 Jan 12;49(1):381-90.
• Holmes MA, Buckner FS, Van Voorhis WC, Mehlin C, Boni E, Earnest TN, DeTitta G, Luft J, Lauricella A, Anderson L, Kalyuzhniy O, Zucker F, Schoenfeld LW, Hol WG, Merritt EA. Structure of the conserved hypothetical protein MAL13P1.257 from Plasmodium falciparum. Acta Crystallograph Sect F Struct Biol Cryst Commun. 2006 Mar 1;62(Pt 3):180-5.
• Holmes MA, Buckner FS, Van Voorhis WC, Verlinde CL, Mehlin C, Boni E, DeTitta G, Luft J, Lauricella A, Anderson L, Kalyuzhniy O, Zucker F, Schoenfeld LW, Earnest TN, Hol WG, Merritt EA. Structure of ribose 5-phosphate isomerase from Plasmodium falciparum. Acta Crystallograph Sect F Struct Biol Cryst Commun. 2006 May 1;62(Pt 5):427-31.
• Immormino RM, Kang Y, Chiosis G, Gewirth DT. Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors. J Med Chem. 2006 Aug 10;49(16):4953-60.
• Meilleur F, Snell EH, van der Woerd MJ, Judge RA, Myles DA. A quasi-Laue neutron crystallographic study of D: -xylose isomerase. Eur Biophys J. 2006 May 4.
• Pletnev VZ,
Thomas JL, Rhaney FL, Holt LS, Scaccia LA, Umland TC and Duax WL. Rational
Proteomics V: Structure-based mutagenesis has revealed key residues responsible
for substrate recognition and catalysis by the dehydrogenase and isomerase
activities in human 3beta-hydroxysteroid dehydrogenase/isomerase type
1.
J. Steroid.Biochem Mol Biol. 2006 Sep; 101(1): 50-60.
• Robien MA, Bosch J, Buckner FS, Van Voorhis WC, Worthey EA, Myler P, Mehlin C, Boni EE, Kalyuzhniy O, Anderson L, Lauricella A, Gulde S, Luft JR, DeTitta G, Caruthers JM, Hodgson KO, Soltis M, Zucker F, Verlinde CL, Merritt EA, Schoenfeld LW, Hol WG. Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site. Proteins. 2006 Mar 15;62(3):570-7.
• Schwalbe CH, Cody V. Structural characteristics of small-molecule antifolate compounds. Crystallography Reviews. 2006 Oct;12(4):267-300.
• Snell
EH, van der Woerd MJ, Damon M, Judge RA, Myles DA, Meilleur F. Optimizing
crystal volume for neutron diffraction: D: -xylose isomerase. Eur
Biophys J. 2006 May 25.
• Sundlov JA, Garringer JA, Carney JM, Reger AS, Drake EJ, Duax
WL, Gulick AM. Determination
of the crystal structure of EntA, a 2,3-dihydro-2,3-dihydroxybenzoic acid dehydrogenase
from Escherichia coli. Acta Crystallogr D Biol Crystallogr. 2006
Jul;62(Pt 7):734-40.
• Williams AH, Immormino RM, Gewirth DT, Raetz CR. Structure of UDP-N-acetylglucosamine acyltransferase with a bound antibacterial pentadecapeptide. Proc Natl Acad Sci U S A. 2006 Jul 18;103(29):10877-82.
• Xu H, Hauptman HA. Recent advances in direct phasing methods for heavy-atom substructure determination. Acta Crystallogr D Biol Crystallogr. 2006 Aug;62(Pt 8):897-900