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2009

• Cody V, Pace J, Lin L, Gangjee A.  The Z isomer of 2,4-diaminofuro[2,3-d]pyrimidine antifolate promotes unusual crystal packing in a human dihydrofolate reductase ternary complex.  Acta Crystallogr Sect F Struct Biol Cryst Commun.  2009 Aug 1;65(Pt 8):762-6.  [Pub Med ID: 19652333]

• Cody V, Pace J, Makin J, Piraino J, Queener SF, Rosowsky A.  Correlations of inhibitor kinetics for Pneumocystis jirovecii and human dihydrofolate reductase with structural data for human active site mutant enzyme complexes.  Biochemistry. 2009 Feb 5. [Epub ahead of print].  [Pub Med ID: 19196009]

• Gangjee A, Li W, Kisliuk RL, Cody V, Pace J, Piraino J, Makin J.  Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-D]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents.  J Med Chem. 2009 Aug 13;52(15):4892-902.  [Pub Med ID: 19719239]

• Ghosh D, Griswold J, Erman M, Pangborn W.  Structural basis for androgen specificity and oestrogen synthesis in human aromatase.  Nature. 2009 Jan 8;457(7226):219-23.  [Pub Med ID: 19129847]

• Gulick AM.  Ironing out a new siderophore synthesis strategy.  Nat Chem Biol. 2009 Mar;5(3):143-4.  [Pub Med ID: 19219015

• Gulick AM.  Conformational dynamics in the acyl-CoA synthetases, adenylation domains of non-ribosomal peptide synthetases, and firefly luciferase.  ACS Chem Biol. 2009 Jul 19. [Epub ahead of print].  [Pub Med ID: 19610673]

• Heltzel JM, Scouten Ponticelli SK, Sanders LH, Duzen JM, Cody V, Pace J, Snell EH, Sutton MD.  Sliding clamp–DNA interactions are required for viability and contribute to DNA polymerase management in Escherichia coli.  J Mol Biol. 2009 Mar 20;387(1):74-91.  [Pub Med ID: 19361435]

• Immormino RM, Metzger LE 4th, Reardon PN, Dollins DE, Blagg BS, Gewirth DT. Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design. J Mol Biol. 2009 May 22;388(5):1033-42.
[Pub Med ID: 19361515]

• Koszelak-Rosenblum M, Krol A, Mozumdar N, Wunsch K, Ferin A, Cook E, Veatch CK, Nagel R, Luft JR, Detitta GT, Malkowski MG.  Determination and application of empirically derived detergent phase boundaries to effectively crystallize membrane proteins.  Protein Sci. 2009 Sep;18(9):1828-39.  [Pub Med ID: 19554626]

• Miknis ZJ, Donaldson EF, Umland TC, Rimmer RA, Baric RS, Schultz LW. Severe acute respiratory syndrome coronavirus nsp9 dimerization is essential for efficient viral growth. J Virol. 2009 Apr;83(7):3007-18.  [Pub Med ID: 19153232]

• Quartley E, Alexandrov A, Mikucki M, Buckner FS, Hol WG, DeTitta GT, Phizicky EM, Grayhack EJ.  Heterologous expression of L. major proteins in S. cerevisiae: a test of solubility, purity, and gene recoding.  J Struct Funct Genomics. 2009 Sep;10(3):233-47.  [Pub Med ID: 19701618]

• Russo TA, Macdonald U, Beanan JM, Olson R, Macdonald IJ, Sauberan SL, Luke NR, Schultz LW, Umland TC.  Penicillin-binding protein 7/8 contributes to the survival of Acinetobacter baumannii in vitro and in vivo. J Infect Dis. 2009Feb15;199(4):513-21. [Pub Med ID: 19143563]

• Shah MB, Ingram-Smith C, Cooper LL, Qu J, Meng Y, Smith KS, Gulick AM.  The 2.1 Å crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates.  Proteins. 2009 May 18;77(3):685-698 [Epub ahead of print].  [Pub Med ID: 19544569]

• Wu R, Reger AS, Lu X, Gulick AM, Dunaway-Mariano D. The mechanism of domain alternation in the acyl-adenylate forming ligase superfamily member 4-chlorobenzoate: coenzyme A ligase. Biochemistry. 2009 May 19;48(19):4115-25. [Pub Med ID: 19320426]

• Xu H, Weeks CM, Blessing RH.  Powder Shake-and-Bake method.  Z. Kristallogr. Suppl. 30 (2009) 221-226.  [URL]

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]

• Cody V, Mao Q, Queener SF.  Recombinant bovine dihydrofolate reductase produced by mutagenesis and nested PCR of murine dihydrofolate reductase cDNA.  Protein Expr Purif. 2008 Nov; 62(1): 104-10   [PubMed]

• Cody V, Pace J, Rosowsky A.  Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.  Acta Crystallogr D Biol Crystallogr. 2008 Sep;64(Pt 9):977-84. [PubMed]

• Drake EJ, Gulick AM.  Three-dimensional Structures of Pseudomonas aeruginosa PvcA and PvcB, Two Proteins Involved in the Synthesis of 2-Isocyano-6,7-dihydroxycoumarin.  J Mol Biol. 2008 Dec 5;384(1): 193-205. [PubMed]

• Fan E, Baker D, Fields S, Gelb MH, Buckner FS, Van Voorhis WC, Phizicky E, Dumont M, Mehlin C, Grayhack E, Sullivan M, Verlinde C, Detitta G, Meldrum DR, Merritt EA, Earnest T, Soltis M, Zucker F, Myler PJ, Schoenfeld L, Kim D, Worthey L, Lacount D, Vignali M, Li J, Mondal S, Massey A, Carroll B, Gulde S, Luft J, Desoto L, Holl M, Caruthers J, Bosch J, Robien M, Arakaki T, Holmes M, Le Trong I, Hol WG.  Structural genomics of pathogenic protozoa: an overview.  Methods Mol Biol. 2008;426:497-513. [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]

• Koszelak-Rosenblum M, Krol AC, Simmons DM, Goulah CC, Wroblewski L, Malkowski MG.  His-311 and Arg-559 are key residues involved in fatty acid oxygenation in pathogen-inducible oxygenase.  J Biol Chem. 2008 Sep 5;283(36):24962-71. [PubMed]

• Larson ET, Deng W, Krumm BE, Napuli A, Mueller N, Van Voorhis WC, Buckner FS, Fan E, Lauricella A, DeTitta G, Luft J, Zucker F, Hol WG, Verlinde CL, Merritt EA.  Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity.  J Mol Biol. 2008 Sep 12;381(4):975-88. [PubMed]

• Merritt EA, Holmes M, Buckner FS, Van Voorhis WC, Quartly E, Phizicky EM, Lauricella A, Luft J, DeTitta G, Neely H, Zucker F, Hol WG.  Structure of a Trypanosoma brucei alpha/beta-hydrolase fold protein with unknown function.  Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Jun 1;64(Pt 6):474-8. [PubMed]

• Nagel, RM, Luft, JR, Snell, EH (2008). AutoSherlock: a program for effective crystallization data analysis. J Appl Crystallogr. 2008 Dec;41(Pt 6): 1173-6. [URL link]

• Reger AS, Wu R, Dunaway-Mariano D, Gulick AM.  Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase.
Biochemistry. 2008 Aug 5;47(31):8016-25. [PubMed]

• Snell EH, Luft JR, Potter SA, Lauricella AM, Gulde SM, Malkowski MG, Koszelak-Rosenblum M, Said MI, Smith JL, Veatch CK, Collins RJ, Franks G, Thayer M, Cumbaa C, Jurisica I, Detitta GT. Establishing a training set through the visual analysis of crystallization trials. Part I: approximately 150,000 images. Acta Crystallogr D Biol Crystallogr. 2008 Nov;64(Pt 11):1123-30. [PubMed]

• Snell EH, Lauricella AM, Potter SA, Luft JR, Gulde SM, Collins RJ, Franks G, Malkowski MG, Cumbaa C, Jurisica I, DeTitta GT. Establishing a training set through the visual analysis of crystallization trials. Part II: crystal examples. Acta Crystallogr D Biol Crystallogr. 2008 Nov;64(Pt 11):1131-7. [PubMed]

• Snell EH, Nagel RM, Wojtaszcyk A, O'Neill H, Wolfley JL, Luft JR. The application and use of chemical space mapping to interpret crystallization screening results. Acta Crystallogr D Biol Crystallogr. 2008 Dec;64(Pt 12):1240-9. [PubMed]

• Wu R, Cao J, Lu X, Reger AS, Gulick AM, Dunaway-Mariano D.  Mechanism of 4-chlorobenzoate:coenzyme a ligase catalysis.  Biochemistry. 2008 Aug 5;47(31):8026-39. [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]

• Xu H, Smith AB, Sahinidis NV, Weeks CM.  SnB version 2.3: triplet sieve phasing for centrosymmetric structures.  J Appl Crystallogr. 2008;41:644-646. [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]