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  MacCHESS user publications

2005        

2004

2003

2002

2001

2000

1999

1998

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1993
           

Notable publications by MacCHESS users before 1993
Technical R&D publications
Theses from work at MacCHESS

 

  2005
  M. D. Lane, H.-J. Nam, E. Padron, B. Gurda-Whitaker, E. Kohlbrenner, G. Aslanidi, B. Byrne, R. McKenna, N. Muzyczka, S. Zolotukhin & M. Agbandje-McKenna. Production, purification, crystallization and preliminary X-ray analysis of adeno-associated virus serotype 8. Acta Cryst., F61, 558-561, (2005).
 
  Appleby, T. C., H. Luecke, et al. (2005). Crystal Structure of Complete Rhinovirus RNA Polymerase Suggests Front Loading of Protein Primer. J. Virol., 79(1), 277-288, (2005).
 
  Barton, W. A., D. Tzvetkova, et al. Structure of the Angiopoietin-2 Receptor Binding Domain and Identification of Surfaces Involved in Tie2 Recognition. Structure, 13(5), 825-832, (2005).
 
S. Gourinath, N. Padhan, N. Alam & A. Bhattacharya. Crystallization and preliminary crystallographic analysis of calcium-binding protein-2 from Entamoeba histolytica and its complexes with strontium and the IQ1 motif of myosin V. Acta Cryst., F61, 417-420, (2005).
 
Benes, C. H., N. Wu, et al. The C2 Domain of PKC\u03b4 Is a Phosphotyrosine Binding Domain. Cell 121(2), 271-280, (2005).
 
Biswas, T., Aihara, H., et al.  A structural basis for allosteric control of DNA recombination by[alpha]integrase. Nature, 435, 1059-1066,(2005).
 
Chen, B., Vogan, M. E., et al. Structure of an unliganded simian immunodeficiency virus gp120 core. Nature,  433, 834-841, (2005).
 
X. Mao & X. Chen. Crystallization and X-ray crystallographic analysis of human STAT1. Acta Cryst., F61, 666-668, (2005).
 
Pant, K. and B. R. Crane. Structure of a Loose Dimer: an Intermediate in Nitric Oxide Synthase Assembly. J.Mol. Biology, In Press, (2005).
 
Buddha, M. R. and B. R. Crane. Structures of tryptophanyl-tRNA synthetase II from Deinococcus radiodurans bound to ATP and tryptophan: Insight into subunit cooperativity and domain motions linked to catalysis. J. Biol. Chem., M501568200, (2005).
 
Das, K., P. J. Lewi, et al. Crystallography and the design of anti-AIDS drugs: conformational flexibility and positional adaptability are important in the design of non-nucleoside HIV-1 reverse transcriptase inhibitors. Progress in Biophysics and Molecular Biology, 88(2), 209-231, (2005).
 
Dohm, J. A., M.-H. Hsu, et al. Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site. J. Mol. Biology, 349(4), 731-744, (2005).
 
Toms, A. V., Haas, A. L., Park, J.-H., Begley, T. P., Ealick, S. E. Structural Characterization of the Regulatory Proteins TenA and TenI from Bacillus subtilis and Identification of TenA as a Thiaminase II. Biochemistry, 44(7), 2319-2329, (2005).
 
Zhang, Y., Colabroy, K. L.., Begley, T. P., Ealick, S. E. Structural Studies on 3-Hydroxyanthranilate-3,4-dioxygenase: The Catalytic Mechanism of a Complex Oxidation Involved in NAD Biosynthesis. Biochemistry, 44(21), 7632-7643, (2005).
 
Fenn,T. D., Holyoak, T., Stamper, G. F., et al. Effect of a Y265F Mutant on the Transamination-Based Cycloserine Inactivation of Alanine Racemase. Biochemistry, 44(14), 5317-6327, (2005).
 
Ghosh, K., C. K. Lau, et al. Peptide Trapping of the Holliday Junction Intermediate in Cre-loxP Site-specific Recombination, J. Biol. Chem., 280(9), 8290-8299, (2005).
 
Gorrell, A., S. H. Lawrence, et al. Structural and Kinetic Analyses of Arginine Residues in the Active Site of the Acetate Kinase from Methanosarcina thermophila, J. Biol. Chem., 280(11), 10731-10742, (2005).
 
C. U. Kim, R. Kapfer & S. M. Gruner. High-pressure cooling of protein crystals without cryoprotectants. Acta Cryst., D61, 881-890, (2005.).
 
Wang, J., Shen, B., Guo, M., et al. Blocking Effect and Crystal Structure of Natrin Toxin, a Cysteine-Rich Secretory Protein from Naja atra Venom that Targets the BKCa Channel. Biochemistry,44(30), 10145-10152, (2005).
 
Huang, Q., Q. Liu, et al. Crystal Structures of Fms1 and its Complex with Spermine Reveal Substrate Specificity, J. Mol. Biology,  348(4), 951-959, (2005).
 
U. Englich, A. Kazimirov, Q. Shen, D. H. Bilderback, S. M. Gruner & Q. Hao. Crystallographic data collection using a 0.22% bandwidth multilayer. J. Synchrotron Rad., 12M., 345-348, (2005).
 
Adams, M. A. and Z. Jia. Structural and Biochemical Evidence for an Enzymatic Quinone Redox Cycle in Escherichia coli: IDENTIFICATION OF A NOVEL QUINOL MONOOXYGENASE, J. Biol. Chem., 280(9), 8358-8363, (2005).
 
J. J. Adams, G. Pal, K. Yam, H. L. Spencer, Z. Jia & S. P. Smith. Purification and crystallization of a trimodular complex comprising the type II cohesin-dockerin interaction from the cellulosome of Clostridium thermocellum. Acta Cryst., F61, 46-48, (2005).
 
Kim, J.-I., C. J. Lee, et al. Crystal Structure of CD14 and Its Implications for Lipopolysaccharide Signaling, J. Biol. Chem., 280(12), 11347-11351, (2005).
 
Kuntz, D. A., A. Ghavami, et al. Crystallographic analysis of the interactions of Drosophila melanogaster Golgi [alpha]-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues, Tetrahedron.  Asymmetry, 16(1), 25-32, (2005).
 
Lautenschlager, C., W. S. Leal, et al. Coil-to-helix transition and ligand release of Bombyx mori pheromone-binding protein. Biochemical and Biophysical Research Communications,  In Press, (2005).
 
LeMagueres, P., Im, H.; Ebalunode, J., et al. The 1.9 Crystal Structure of Alanine Racemase from Mycobacterium tuberculosis Contains a Conserved Entryway into the Active Site. Biochemistry, 44(5), 1471-1481, (2005).
 
Li, S., K. R. Schmitz, et al. Structural basis for inhibition of the epidermal growth factor receptor by cetuximab, Cancer Cell,  7(4), 301-311, (2005).
 
Li, Y., A. S. Fanning, et al. Structure of the Conserved Cytoplasmic C-terminal Domain of Occludin: Identification of the ZO-1 Binding Surface, J. Mol. Biology,  In Press, (2005).
 
Mao, X., Z. Ren, et al. Structural Bases of Unphosphorylated STAT1 Association and Receptor Binding, Molecular Cell, 17(6), 761-771, (2005).
 
Modis, Y., S. Ogata, et al. Variable Surface Epitopes in the Crystal Structure of Dengue Virus Type 3 Envelope Glycoprotein. J. Virol., 79(2), 1223-1231, (2005).
 
Nam, H.-J., F. Poy, et al. Structural basis for the function and regulation of the receptor protein tyrosine phosphatase CD45. J. Exp. Med., 201(3), 441-452, (2005).
 
Nikolov, D. B.; Li, C.; et al. Crystal Structure of the Ephrin-B1 Ectodomain: Implications for Receptor Recognition and Signaling. Biochemistry, 44(33), 10947-10953, (2005).
 
Ruthenburg, A. J., D. M. Graybosch, et al. A Superhelical Spiral in the Escherichia coli DNA Gyrase A C-terminal Domain Imparts Unidirectional Supercoiling. Bias, J. Biol. Chem., 280(28), 26177-26184, (2005).
 
Ryu, K.-S., J.-I. Kim, et al.  Structural Insights into the Monosaccharide Specificity of Escherichia coli Rhamnose Mutarotase, J. Mol. Biology,  349(1), 153-162, (2005).
 
Quezada, C. M., D. J. Hamel, et al.  Structural and chemical requirements for histidine phosphorylation by the chemotaxis kinase CheA. J. Biol. Chem., M505316200, (2005).
 
Schultz, L. W., L. Liu, et al. Crystal structure of a pH-regulated luciferase catalyzing the bioluminescent oxidation of an open tetrapyrrole. PNAS, 102(5), 1378-1383, (2005).
 
Shi, D., H. Morizono, et al.  Crystal Structure of N-Acetylornithine Transcarbamylase from Xanthomonas campestris: A NOVEL ENZYME IN A NEW ARGININE BIOSYNTHETIC PATHWAY FOUND IN SEVERAL EUBACTERIA. J. Biol. Chem., 280(15), 14366-14369, (2005).
 
Sun, J.-P.; Wang, W.-Q.; et al. Structure and Biochemical Properties of PRL-1, a Phosphatase Implicated in Cell Growth, Differentiation, and Tumor Invasion. Biochemistry, (2005).
 
Y. Kalinin, J. Kmetko, A. Bartnik, A. Stewart, R. Gillilan, E. Lobkovsky & R. Thorne  A new sample mounting technique for room-temperature macromolecular crystallography. J. Appl. Cryst., 38, 333-339, (2005).
 
Zang, Y., W.-H. Wang, et al. Identification of a Subversive Substrate of Trichomonas vaginalis Purine Nucleoside Phosphorylase and the Crystal Structure of the Enzyme-Substrate Complex. J. Biol. Chem., 280(23), 22318-22325, (2005).
 
Vedula, L. S., Rynkiewicz, M. J. el at.  Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry, 44(16), 6153-6163, (2005).
 
Anirban Banerjee, Wei Yang, Martin Kapplus & Gregory L. Verdine. Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA. Nature, 434, 612 - 618, ( 2005).
 
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 updated by Weilin Meng    

 

  2004
 

Mavis Agbandje-McKenna. Structural Studies of Adeno-associated Virus Serotypes Towards the Development of Targeted Viral Gene Therapy Vectors. Proceedings CHESS User's Meeting, Cornell University, Ithaca, NY, June 15-16 Invited Abstract, 10 (2004).
 
  Yu, Y., Liu, Y., Shen, N., Xu, X., Xu, F., Jia, J., Jin, Y., Arnold, E., and Ding, J. Crystal Structure of Human Tryptophanyl-tRNA Synthetase Catalytic Fragment: INSIGHTS INTO SUBSTRATE RECOGNITION, tRNA BINDING, AND ANGIOGENESIS ACTIVITY. J. Biol. Chem., 279, 8378-8388, (2004).
 
  Xu, X., Zhao, J., Xu, Z., Peng, B., Huang, Q., Arnold, E., and Ding, J. Structures of Human Cytosolic NADP-dependent Isocitrate Dehydrogenase Reveal a Novel Self-regulatory Mechanism of Activity. J. Biol. Chem., 279, 33946-33957, (2004).
 
  Das, K., Acton, T., Chiang, Y., Shih, L., Arnold, E., and Montelione, G. T. Crystal structure of RlmAI: Implications for understanding the 23S rRNA G745/G748-methylation at the macrolide antibiotic-binding site. PNAS, 101, 4041-4046, (2004).
 
  Das, K., Butler, G. H., Kwiatkowski, V., Clark, J., Arthur D., Yadav, P., and Arnold, E. Crystal Structures of Arginine Deiminase with Covalent Reaction Intermediates: Implications for Catalytic Mechanism. Structure, 12, 657-667, (2004).
 
  Sarafianos, S. G., Das, K., Hughes, S. H., and Arnold, E. Taking aim at a moving target: designing drugs to inhibit drug-resistant HIV-1 reverse transcriptases. Current Opinion in Structural Biology, 14, 716-730, (2004).
 
  Ceccarelli, C., Liang, Z.-X., Strickler, M., Prehna, G., Goldstein, B. M., Klinman, J. P., and Bahnson, B. J.  Crystal Structure and Amide H/D Exchange of Binary Complexes of Alcohol Dehydrogenase from Bacillus stearothermophilus: Insight into Thermostability and Cofactor Binding. Biochemistry 43, 5266-5277, (2004).
 
  C. Schmidt, K. Rickers, D. H. Bilderback, R. Huang & G. Falkenberg. In-situ determination of mineral solubilities using a diamond-anvil cell and SR-XRF: advantages of applying a single bounce capillary. Submitted as user contribution to Hasylab 2004 annual report , (2004).
 
  G. Falkenberg, K. Rickers, D. H. Bilderback and R. Huang. A Single-bounce Capillary for Focusing of Hard X-rays. Technical Improvements at HASYLAB section of the Hasylab 2004 annual report, submitted, (2004).
 
  R. Huang and D. H. Bilderback. Single-Bounce Monocapillaries for Focusing Synchrotron Radiation: Modeling, Measurements and Theoretical Limits. Journal of Synchrotron Radiation,  submitted, (2004).
 
  R. Huang and D. H. Bilderback. Secondary Focusing for Micro-Diffraction Using One-Bounce Capillaries CP705. Synchrotron Radiation Instrumentation: Eight International Conference, edited by T. Warwick, et al. American Institute of Physics , 712-715, (2004).
 
  Leung, A. K. W., Lucile White, E., Ross, L. J., Reynolds, R. C., DeVito, J. A., and Borhani, D. W. Structure of Mycobacterium tuberculosis FtsZ Reveals Unexpected, G Protein-like Conformational Switches. J. Mol. Biology, 342, 953-970, (2004).
 
 

Li, L., and Bouvier, M. Structures of HLA-A*1101 Complexed with Immunodominant Nonamer and Decamer HIV-1 Epitopes Clearly Reveal the Presence of a Middle, Secondary Anchor Residue. J. Immunol,. 172, 6175-6184, (2004).
 
  Brautigam, C. A., Chelliah, Y., and Deisenhofer, J. Tetramerization and ATP Binding by a Protein Comprising the A, B, and C Domains of Rat Synapsin I. J. Biol. Chem., 279, 11948-11956, (2004).
 
  Yeh, J. I., Charrier, V., Paulo, J., Hou, L., Darbon, E., Claiborne, A., Hol, W. G. J., and Deutscher, J. Structures of Enterococcal Glycerol Kinase in the Absence and Presence of Glycerol: Correlation of Conformation to Substrate Binding and a Mechanism of Activation by Phosphorylation. Biochemistry, 43, 362-373, (2004).
 
 

Misquitta, Y., Cherezov, V., Havas, F., Patterson, S., Mohan, J. M., Wells, A. J., Hart, D. J., and Caffrey, M. Rational design of lipid for membrane protein crystallization. Journal of Structural Biology, 148, 169-175,  (2004).
 
  Misquitta, L. V., Misquitta, Y., Cherezov, V., Slattery, O., Mohan, J. M., Hart, D., Zhalnina, M., Cramer, W. A., and Caffrey, M. Membrane Protein Crystallization in Lipidic Mesophases with Tailored Bilayers. Structure, 12, 2113-2124, (2004).
 
  Gomez, G. A., Morisseau, C., Hommock, B. D., and Christianson, D. W. Structure of Human Epoxide Hydrolase Reveals Mechanistic Inferences on Bifunctional Catalysis in Epoxide and Phosphate Ester Hydrolysis. Biochemistry, 43, 4716-4723, (2004).
 
  Risal, D., Gourinath, S., Himmel, D. M., Szent-Gyorgyi, A. G., and Cohen, C. Myosin subfragment 1 structures reveal a partially bound nucleotide and a complex salt bridge that helps couple nucleotide and actin binding. PNAS, 101, 8930-8935, (2004).
 
  Park, S.-Y., Beel, B. D., Simon, M. I., Bilwes, A. M., and Crane, B. R. In different organisms, the mode of interaction between two signaling proteins is not necessarily conserved. PNAS, 101, 11646-11651, (2004).
 
  Seong A. Kang, Pieti J. Marjavaara, Brian R. Crane. Electron transfer between cytochrome c and cytochrome c peroxidase in single crystals. J. Am. Chem. Soc.Submitted, (2004).
 
  Buddha, R. M. and Crane R. B. (2005). Structure and activity of an aminoacyl-tRNA synthetase that charges tRNA with nitro-tryptophan, Nature Structural & Molecular Biology, 12, 274-275, ( 2004).
 
  Kang, S. A., Marjavaara, P. J., and Crane, B. R. Electron Transfer between Cytochrome c and Cytochome c Peroxidase in Single Crystals. J. Am. Chem. Soc., 126, 10836-10837, (2004).
 
  Quezada, C. M., Gradinaru, C., Simon, M. I., Bilwes, A. M., and Crane, B. R. Helical Shifts Generate Two Distinct Conformers in the Atomic Resolution Structure of the CheA Phosphotransferase Domain from Thermotoga maritima. Journal of Molecular Biology 341, 1283-1294, (2004).
 
  Park, S.-Y., Chao, X., Gonzalez-Bonet, G., Beel, B. D., Bilwes, A. M., and Crane, B. R.  Structure and Function of an Unusual Family of Protein Phosphatases: The Bacterial Chemotaxis Proteins CheC and CheX. Molecular Cell, 16, 563-574, (2004).
 
  Lacy, D. B., Wigelsworth, D. J., Scobie, H. M., Young, J. A. T., and Collier, R. J. Crystal structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: An anthrax toxin receptor. PNAS 101, 6367-6372, (2004).
 
  Lacy, D. B., Wigelsworth, D. J., Melnyk, R. A., Harrison, S. C., and Collier, R. J. Structure of heptameric protective antigen bound to an anthrax toxin receptor: A role for receptor in pH-dependent pore formation. PNAS, 101, 13147-13151, (2004).
 
  Moldoveanu, T., Campbell, R. L., Cuerrier, D., and Davies, P. L. Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site. J. Mol. Biology, 343, 1313-1326, (2004).
 
  Bauer J. A., Bennett E. M., Begley T. P., and Ealick S. E. Three-Dimensional Structure of YaaE from Bacillus subtilis, A Glutaminase Implicated in Pyridoxal-5`-phosphate Biosynthesis. J. Biol. Chem.,  279, 2704-11, (2004).
 
  Settembre, E. C., Chittuluru, J. R., Mill, C. P., Kappock, T. J., and Ealick, S. E.  Acidophilic adaptations in the structure of Acetobacter aceti N5-carboxyaminoimidazole ribonucleotide mutase (PurE). Acta Crystallographica, Section D 60, 1753-1760, (2004).
 
  Zhang, Y., Cottet, S. E., and Ealick, S. E. Structure of Escherichia coli AMP Nucleosidase Reveals Similarity to Nucleoside Phosphorylases. Structure, 12, 1383-1394, (2004).
 
  Zhang, Y., Dougherty, M., Downs, D. M., and Ealick, S. E. Crystal Structure of an Aminoimidazole Riboside Kinase from Salmonella enterica: Implications for the Evolution of the Ribokinase Superfamily. Structure, 12, 1809-1821, (2004).
 
  Anand, R., Hoskins, A. A., Stubbe, J., and Ealick, S. E. Domain Organization of Salmonella typhimurium Formylglycinamide Ribonucleotide Amidotransferase Revealed by X-ray Crystallography. Biochemistry, 43, 10328-10342, (2004).
 
  Toms, A. V., Kinsland, C., McCloskey, D. E., Pegg, A. E., and Ealick, S. E. Evolutionary Links as Revealed by the Structure of Thermotoga maritima S-Adenosylmethionine Decarboxylase. J. Biol. Chem., 279, 33837-33846, (2004).
 
  Eck, Michael. Structure of a Formin Homology-2 Domain. Proceedings CHESS User`s Meeting, Cornell University, Ithaca, NY, June 15-16, Invited Abstract, 11 (2004).
 
  Xu Y, Moseley J.,B., Sagot I., Poy F., Pellman D., Goode B. L., Eck M. J. Crystal structures of a formin homology-2 domain reveal a tethered dimer architecture. Cell, 116(5), 711-23, (2004).
 
  Dutta, S., Li, Y., Johnson, D., Dzantiev, L., Richardson, C. C., Romano, L. J., and Ellenberger, T. Crystal structures of 2-acetylaminofluorene and 2-aminofluorene in complex with T7 DNA polymerase reveal mechanisms of mutagenesis. PNAS, 101, 16186-16191, (2004).
 
  Li, Y., Dutta, S., Doublie, S., Bdour, H. M. d., Taylor, J.-S., and Ellenberger, T. Nucleotide insertion opposite a cis-syn thymine dimer by a replicative DNA polymerase from bacteriophage T7. Nature Structural & Molecular Biology, 11, 784-790, (2004).
 
  Adams, T. E., Hockin, M. F., Mann, K. G., and Everse, S. J.  The crystal structure of activated protein C-inactivated bovine factor Va: Implications for cofactor function. PNAS, 101, 8918-8923, (2004).
 
  Halbrooks, P. J., Mason, A. B., Adams, T. E., Briggs, S. K., and Everse, S. J. The Oxalate Effect on Release of Iron from Human Serum Transferrin Explained. J. Mol. Biology, 339, 217-226, (2004).
 
  Richard Gillilan. Digital Sample Visualizaton and Fluorescent Microfiber Alignment: New Tools at MacCHESS. Proceedings CHESS User`s Meeting, Cornell University, Ithaca, NY, June 15-16, Abstract, 22, (2004).
 
  Qingqiu Huang, Qun Liu and Quan Hao. The Crystal Structure of Fms1 Reveals the Substrate Specificity of Polyamine Oxidase. Proceedings CHESS User`s Meeting, Cornell University, Ithaca, NY, June 15-16, Abstract, (2004).
 
  Xiang T, Liu Q, Deacon A. M., Koshy M., Kriksunov I. A., Lei X., Hao Q. & Thiel D. J. Crystal Structure of a Heat-resilient Phytase from Aspergillus fumigatus, Carrying a Phosphorylated Histidine. J. Mol. Biol., 339, 437-445, (2004).
 
  H. Zhang, M. Teng, L. Niu, Y. Wang, Y. Wang, Q. Liu, Q. Huang, Q. Hao, Y. Dong and P. Liu. Purification, partial characterization, crystallization and structural determination of AHP-LAAO, a novel L-amino-acid oxidase with cell apoptosis-inducing activity from Agkistrodon halys pallas venom. Acta Cryst., D60, 974-977, (2004).
 
  Lou, X., Liu, Q., Tu, X., Wang, J., Teng, M., Niu, L., Schuller, D. J., Huang, Q., and Hao, Q.  The Atomic Resolution Crystal Structure of Atratoxin Determined by Single Wavelength Anomalous Diffraction Phasing. J Biol. Chem.,  279, 39094-39104, (2004).
 
  J. Wang, M. Guo, X. Tu, D. Zheng, M. Teng, L. Niu, Q. Liu, Q. Huang and Q. Hao
Purification, partial characterization, crystallization and preliminary X-ray diffraction of two cysteine-rich secretory proteins from Naja atra and Trimeresurus stejnegeri venoms
Acta Cryst., D60, 1180-1111, (2004).
 
  Love M. L., Szebenyi D. M. E., Kriksunov I. A., Thiel D. J., Munshi C., Graeff R., Lee H. C., Hao Q. ADP-ribosyl cyclase: crystal structures reveal a covalent intermediate. Structure, 12, 477-486, (2004).
 
  Hao, Q. ABS: a program to determine absolute configuration and evaluate anomalous scatterer substructure. J. Appl. Crystallography, 37, 498-499, (2004).
 
  Liu, Q., Huang, Q., Lei, X. G., and Hao, Q. Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics. Structure, 12, 1575-1583. (2004).
 
  Xu, G., Teng, M., Niu, L., Liu, P., Dong, Y., Liu, Q., Huang, Q., and Hao, Q. Purification, characterization, crystallization and preliminary X-ray crystallographic analysis of two novel C-type lectin-like proteins: Aall-A and Aall-B from Deinagkistrodon acutus venom. Acta Crystallographica, Section D 60, 2035-2037, (2004).
 
  Ekaterina E. Heldwein , Eric Macia, Jing Wang , Helen L. Yin, Tomas Kirchhausen and Stephen C. Harrison. Crystal structure of the clathrin adaptor protein 1 core. PNAS, 101, 14108-14113, (2004).
 
  Panne, D., Maniatis, T., and Harrison, S. C. Crystal structure of ATF-2/c-Jun and IRF-3 bound to the interferon-{beta} enhancer. EMBO J., 23, 4384-4393, (2004).
 
  Dormitzer, P. R., Nason, E. B., Prasad, B. V. V., and Harrison, S. C. Structural rearrangements in the membrane penetration protein of a non-enveloped virus. Nature,  430, 1053-1058,  (2004).
 
  You, L., Gillilan, R., and Huffaker, T. C. Model for the Yeast Cofactor A-[beta]-Tubulin Complex Based on Computational Docking and Mutagensis. Journal of Molecular Biology 341, 1343-1354, (2004).
 
  Moldoveanu, T., Jia, Z., and Davies, P. L. Calpain. Activation by Cooperative Ca2+ Binding at Two Non-EF-hand Sites. J. Biol. Chem., 279, 6106-6114, (2004).
 
  Finnerty, C. M., Chambers, D., Ingraffea, J., Faber, H. R., Karplus, P. A., and Bretscher, A.  The EBP50-moesin interaction involves a binding site regulated by direct masking on the FERM domain. J. Cell. Sci., 117, 1547-1552, (2004).
 
  Nukaga. M., S. Kumar, K. Nukaga, R. F. Pratt and J. R. Knox. Hydrolysis of third-generation cephalosporins by class C Я-lactamases: Structures of a transition-state analog of cefotaxime in wild-type and extended-spectrum enzymes. J. Biol. Chem., 279, 9344-9352, (2004).
 
  Venkatesan, A. M., Gu, Y., Santos, O. D., Abe, T., Agarwal, A., Yang, Y., Petersen, P. J., Weiss, W. J., Mansour, T. S., Nukaga, M., et al.. Structure-Activity Relationship of 6-Methylidene Penems Bearing Tricyclic Heterocycles as Broad-Spectrum -Lactamase Inhibitors: Crystallographic Structures Show Unexpected Binding of 1,4-Thiazepine Intermediates. J. Med. Chem., 47, 6556-6568, (2004).
 
  Das, K., Clark, A. D., Jr., Lewi, P. J., Heeres, J., de Jonge, M. R., Koymans, L. M. H., Vinkers, H. M., Daeyaert, F., Ludovici, D. W., Kukla, M. J., et al. Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants. J. Med. Chem. 47, 2550-2560, (2004).
 
  Haung, J., and Lipscomb, W. N.  Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate. Biochemistry, 43, 6415-6421, (2004).
 
  Haung, J., and Lipscomb, W. N. Products in the T-State of Aspartate Transcarbamylase: Crystal Structure of the Phosphate and N-Carbamyl-L-aspartate Ligated Enzyme. Biochemistry, 43, 6422-6426, (2004).
 
  Zhou, Y., and MacKinnon, R. Ion Binding Affinity in the Cavity of the KcsA Potassium Channel. Biochemistry 43, 4978-4982, (2004).
 
  Dimasi, N., Moretta, A., Moretta, L., Biassoni, R., and Mariuzza, R. A. Structure of the saccharide-binding domain of the human natural killer cell inhibitory receptor p75/AIRM1. Acta Crystallographica, Section D 60, 401-403, (2004).
 
  Govindasamy, L., Kukar, T., Lian, W., Pedersen, B., Gu, Y., Agbandje-McKenna, M., Jin, S., McKenna, R., and Wu, D. Structural and mutational characterization of -carnitine binding to human carnitine acetyltransferase. J. Struct. Biology, 146, 416-424, (2004).
 
  Govindasamy, L., Pedersen, B., Lian, W., Kukar, T., Gu, Y., Jin, S., Agbandje-McKenna, M., Wu, D., and McKenna, R. Structural insights and functional implications of choline acetyltransferase. J. Struct. Biology, 148, 226-235, (2004).
 
  Lian W., Y. Gu, B. Pedersen, T. Kukar,L. Govindasamy, M. Agbandje-McKenna, S. Jin, R. McKenna, D. Wu. Crystallization and preliminary X-ray crystallographic studies on recombinant rat choline acetyltransferase. Acta Cryst., D60, 374-375, (2004).
 
  Govindasamy, L., Reutzel, R., Agbandje-McKenna, M., and McKenna, R. Structural determination of a partially hemihedrally twinned actin crystal. Acta Crystallographica, Section D 60, 1040-1047, (2004).
 
  Reutzel, R., C. Yoshioka, L. Govindasamy, E. G. Yarmola, M. Agbandje-McKenna, M. R. Bubb, R. McKenna. Actin Crystal Dynamics: Structural Implications for F-actin Nucleation, Polymerization and Branching Mediated by the Anti-parallel Dimer. J. Structural Bio., accepted, (2004).
 
  Skowronek, K. R., Guo, F., Zheng, Y., and Nassar, N. The C-terminal Basic Tail of RhoG Assists the Guanine Nucleotide Exchange Factor Trio in Binding to Phospholipids. J Biol. Chem., 279, 37895-37907, (2004).
 
  Ahn, V. E., Lo, E. I., Engel, C. K., Chen, L., Hwang, P. M., Kay, L. E., Bishop, R. E., and Prive, G. G. A hydrocarbon ruler measures palmitate in the enzymatic acylation of endotoxin. EMBO J., 23, 2931-2941, (2004).
 
  Walker, J. R., Nagar, B., Young, N. M., Hirama, T. and Rini, J. M. X-ray Crystal Structure of a Galactose-Specific C-type Lectin Possessing a Novel Decameric Quaternary Structure. Biochemistry,  43, 3783-3792, (2004).
 
  Choi, K. H., Groarke, J. M., Young, D. C., Kuhn, R. J., Smith, J. L., Pevear, D. C., and Rossmann, M. G. The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation. PNAS, 101, 4425-4430, (2004).
 
  Szebenyi, D. M. E., Musayev, F. N., di Salvo, M. L., Safo, M. K., and Schirch, V. Serine Hydroxymethyltransferase: Role of Glu75 and Evidence that Serine Is Cleaved by a Retroaldol Mechanism. Biochemistry, 43, 6865-6876, (2004).
 
  Myers, J. C., and Shamoo, Y. Human UP1 as a Model for Understanding Purine Recognition in the Family of Proteins Containing the RNA Recognition Motif (RRM). J. Mol. Biology, 342, 743-756, (2004).
 
  Bruning, J. B., and Shamoo, Y. Structural and Thermodynamic Analysis of Human PCNA with Peptides Derived from DNA Polymerase-[delta] p66 Subunit and Flap Endonuclease-1. Structure 12, 2209-2219, (2004).
 
  Andrew A. Stewart, Jacob Godwin-Jones, Daniel Pringle, Jun Wang and Qun Shen. Phasing Protein Structures by Reference-Beam X-Ray Diffraction. CP705, Synchrotron Radiation Instrumentation: Eighth International Conference, edited by T. Warwick et al. American Institute of Physics. Proceedings, 1035-1038, (2004).
 
  Nieng Yan, Jia-Wei Wu, Jun R. Huh, Jijie Chai, Wenyu Li, Bruce A. Hay, and Yigong Shi. Molecular mechanisms of DrICE inhibition by DIAP1 and removal of inhibition by Reaper, Hid, and Grim. Nature-Structural and Molecular Biologyin press, (2004).
 
  Yan, N., Wu, J.-W., Chai, J., Li, W., and Shi, Y. Molecular mechanisms of DrICE inhibition by DIAP1 and removal of inhibition by Reaper, Hid and Grim. Nature Structural & Molecular Biology, 11, 420-428, (2004).
 
  Yan, N., Gu, L., Kokel, D., Chai, J., Li, W., Han, A., Chen, L., Xue, D., and Shi, Y. Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4. Molecular Cell, 15, 999-1006, (2004).
 
  Tsan Xiao, Junichi Takagi, Barry S. Coller, Jia-Huai Wang, Timothy A. Springer. Structural basis for allostery in integrins and binding to fibrinogen-mimetic therapeutics. Nature, 432, 59 - 67, (2004).
 
  Steitz, T. A. and Yin, Y. W. Accuracy, lesion bypass, strand displacement and translocation. In: Replicating and reshaping DNA: A celebration of the jubilee of the double helix, R. Soc. Lond., 359, 17-23, (2004).
 
  Yin, Y. W., and Steitz, T. A. The Structural Mechanism of Translocation and Helicase Activity in T7 RNA Polymerase. Cell, 116, 393-404, (2004).
 
  Steitz, T. A. The structural basis for the transition from initiation to elongation transcription as well as translocation and strand separation by T7 RNA polymerase. Curr. Opin. Struc. Biol., 14, 4-9, (2004).
 
  Xiong, Y., and Steitz, T. A. Mechanism of transfer RNA maturation by CCA-adding enzyme without using an oligonucleotide template. Nature, 430, 640-645, (2004).
 
  Kamtekar, S., Berman, A. J., Wang, J., Lazaro, J. M., de Vega, M., Blanco, L., Salas, M., and Steitz, T. A. Insights into Strand Displacement and Processivity from the Crystal Structure of the Protein-Primed DNA Polymerase of Bacteriophage [phi]29. Mol. Cell, 16, 609-618, (2004).
 
  Z. Stum, J. Kmetko, K. O`Neill, R. L. Gillilan and R. E. Thorne. A new crystal mounting method for macromolecular crystallography. Synchrotron Radiation News,  17, 31-32, (2004),
 
  Malkin, A. J., and Thorne, R. E. Growth and disorder of macromolecular crystals: insights from atomic force microscopy and X-ray diffraction studies. Methods, 34, 273-299, (2004).
 
  Huang, W.-C., Ko, T.-P., Li, S. S.-L., and Wang, A. H.-J. Crystal structures of the human SUMO-2 protein at 1.6 A and 1.2 A resolution: Implication on the functional differences of SUMO proteins. Eur. J. Biochem., 271, 4114-4122, (2004).
 
  Goodman, J. L., Wang, S., Alam, S., Ruzicka, F. J., Frey, P. A., and Wedekind, J. E.  Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the -Crystallin Family. Biochemistry, 43, 13883-13891, (2004).
 
  Stamos, J., Lazarus, R. A., Yao, X., Kirchhofer, D., and Wiesmann, C. Crystal structure of the HGF {beta}-chain in complex with the Sema domain of the Met receptor. EMBO J., 23, 2325-2335, (2004).
 
  Springer, T. A., Takagi, J., Coller, B. S., Wang, J.-H., and Xiao, T. Crystal Structure of the Integrin {alpha}IIB{beta}3 Headpiece at 2.7-3.1 A: Structure, Mechanisms of Activation and Ligand Binding, Inhibition by Eptifibatide, Tirofiban, and mAb 10E5, and Structure of the HPA-1 Alloantigen Epitope. Blood (ASH Annual Meeting Abstracts), 104, 327, (2004).
 
  Chung, S. J., and Verdine, G. L. Structures of End Products Resulting from Lesion Processing by a DNA Glycosylase/Lyase. Chemistry & Biology, 11, 1643-1649, (2004).
 
  Tuske, S., Sarafianos, S. G., Clark, A. D., Ding, J., Naeger, L. K., White, K. L., Miller, M. D., Gibbs, C. S., Boyer, P. L., Clark, P., and Wang, G. Structures of HIV-1 RT\u2013DNA complexes before and after incorporation of the anti-AIDS drug tenofovir. Nat. Struct. & Mol. Biology, 11, 469-474, (2004).
 
  Zhu G., Zhai P., Liu J., Terzyan S., Li G., Zhang X. C. Structural basis of Rab5-Rabaptin5 interaction in endocytosis. Nat. Struct. Mol. Biol., 11, 975-983, (2004).
 
  Zhu G., Zhai P., He X., Wakeham N. Rodgers K., Li G., Tang J., Zhang X. C. Crystal structure of human GGA1 GAT domain complexed with the GAT-binding domain of Rabaptin5. EMBO J., 23(20), 3909-17, (2004).
 
  Terzyan, S., Zhu, G., Li, G., and Zhang, X. C. Refinement of the structure of human Rab5a GTPase domain at 1.05 A resolution. Acta Crystallographica, Section D 60, 54-60, (2004).
 
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updated by Weilin Meng    

 

  2003
 

Sun, A. J., Viadiu, H., Aggarwal, A. K. and Weinstein, H. Energetic and structural considerations for the mechanism of protein sliding along DNA in the nonspecific BamHI-DNA complex. Biophys J., 85, 3317-3325, (2003). 
 

  Edwards T. A, Wilkinson B. D, Wharton R. P, Aggarwal A. K.
Model of the brain tumor-Pumilio translation repressor complex. Genes Dev., 15, 17(20), 2508-13, (2003).

 
  Kaludov, N., Padron, E., Govindasamy, L., McKenna, R., Chiorini, J. A., Agbandje-McKenna, M. Production, purification and preliminary x-ray crystallographic studies of adeno-associated virus serotype 4. Virology, 306, 1-6, (2003).
 
  Duda, D. M., L. Govindasamy, C. Tu, M. Qian, M. Agbandje-McKenna, D. N. Silverman, R. McKenna. The refined atomic structure of carbonic anhydrase II at 1.05 Е resolution: Implications of chemical rescue of proton transfer. Acta Cryst.,  D59, 93-104, (2003).
 
  Govindasamy, L., Hueffer, K, C. R. Parrish, M. Agbandje-McKenna. The structures of host range controlling regions of the capsids of canine and feline parvoviruses and mutants. JBCJ Virol., 77, 12211-12221, (2003).
 
 

Smith, M. B. K., B. M. Hose, A. Hawkins, J. Lipchock, D. W. Farnsworth, R. C. Rizzo, J. Tirado-Rives, W. Zhang, E. Arnold, W. L. Jorgensen, C. J. Michejda, and R. H. Smith, Jr. Molecular modeling calculations of HIV-1 RT nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-Aryl-substituted benzimidazole Analogs. J. Med. Chem., 46, 1940-47, (2003).
 
 

Xu, Z., Y. Yang, W. Jiang, E. Arnold, and J. Ding. Crystal structure of D-hydantoinase from Burkholderia pickettii at 2.7 A resolution: insights into the molecular determinants of enzyme thermostability. J. Bacteriology, in press, (2003).
 
 

S. G. Sarafianos, A. D. Clark Jr., S. Tuske, C. Squire, D. Sheng, P. Ilankumaran, A. R. Ramesha, H. Kroth, J. M. Sayer, D. M. Jerina, P. L. Boyer, S. H. Hughes, and E. Arnold. Trapping HIV-1 reverse transcriptase before and after translocation on DNA. J. Biol. Chem.,  278, 16280-88, (2003).
 

 

D. Bilderback, R. Huang, C. S. Zha, A. Kazimirov, E. Fontes and A. A. Sirenko. Microfocusing monocapillary developments and x-ray applications. CHESS News Magazine, Cornell Univ., Ithaca, NY , (2003). 
 
 

Bilderback, D. Review of capillary x-ray optics from the 2nd International Capillary Optics Meeting. X-spectrometry, 32, (2003). 
 
  Freedman, S. J., Song, H. K., Xu, U., Sun, Z. Y., Eck, M. J., and Blacklow, S. C. Homotetrameric structure of the SNAP-23 N-terminal coiled-coil. J. Biol. Chem., 278, 13462-13467, (2003).
 
  Stolt, P. C., Jeon, H., Song, H. K., Herz, J., Eck, M. J., and Blacklow, S. C. Origins of Peptide Selectivity and Phosphoinositide Binding Revealed by Structures of Disabled-1 PTB Domain Complexes. Structure, 11, 569-579, (2003).
 
 

W. J. Wu, S. Tu and R. A. Cerione. Activated Cdc42 sequesters c-Cbl and prevents EGF receptor degradation. Cell, 114, 715-725, (2003).
 
 

W. J. Smith, N. Nassar, A. Bretscher, R. A. Cerione, and P. A. Karplus. Structure of the active free N-terminal domain of ezrin: Conformational and mobility changes identified keystone interactions. J. Biol. Chem., 278, 4949-56, (2003).
 
  G. R. Hoffman, P. B. Rahl, R. N. Collins, and R. A. Cerione. Conserved structural motifs in intracellular trafficking pathways: Structure of the COP appendage domain. Molec. Cell, 12, 615-625, (2003).
 
  Wu, W. J., Tu, S., and Cerione, R. A. Activated Cdc42 sequesters c-Cbl and prevents EGF receptor degradation. Cell, 114, 715-725, (2003).
 
  Xie, Q., Somasundaram, T., Bhatia, S., Bu, W., and Chapman, M.S.
Structure determination of adeno-associated virus 2: three complete virus particles per asymmetric unit. Acta Crystallogr D Biol. Crystallogr., 59, 959-970, (2003).

 
  Cama, E., Emig, F. A., Ash, D. E., Christianson, D. W. Structural and functional importance of first-shell metal ligands in the binuclear manganese cluster of arginase I. Biochemistry, 42, 7748-7758, (2003) .
 
  Cama E., Colleluori D. M., Emig F. A., Shin H., Kim S. W., Kim N. N., Traish A., Ash D. E., Christianson D. W. Human arginase II: crystal structure and physiological role in male and female sexual arousal. Biochemistry, 42, 8445-8451, (2003).
 
  Cama, E., Shin, H., Christianson, D. W. Design of amino acid sulfonamides as transition-state analogue inhibitors of arginase. J. Am. Chem. Soc., 125, 13052-13057, (2003).
 
  Whittington, D. A., Rusche, K. M., Shin, H., Pierke, C. A., Christianson, D. W. Crystal structure of LpxC, a zinc-dependent deacetylase 3essential for endotoxin biosynthesis. P.N.A.S., 100, 8146-8150, (2003).
 
  Sinars, C. R., Cheung-Flynn, J., Rimerman, R. A., Scammell, J. G., Smith D. F., Clardy, J.
Structure of the large FK506-binding protein FKBP51, an Hsp90-binding protein and a component of steroid receptor complexes. PNAS., USA, 100, 868- (2003).
 
 

Clardy, J. Structure of the large FK506-binding protein FKBP51, an Hsp90-binding protein and a component of steroid receptor complexes. PNAS., 100(3), 868-73, (2003).
 

  Calero, G., Gupta, P., Nonato, M. C., Tandel, S., Biehl, E. R., Hofmann, S. L., and Clardy, J. The Crystal Structure of Palmitoyl Protein Thioesterase-2 (PPT2) Reveals the Basis for Divergent Substrate Specificities of the Two Lysosomal Thioesterases, PPT1 and PPT2. J. Biol. Chem., 278, 37957-37964, (2003).
 
  Gourinath, S., Himmel, D. M., Brown, J. H., Reshetnikova, L., Szent-Gyorgyi, A. G., and Cohen, C. Crystal Structure of Scallop Myosin S1 in the Pre-Power Stroke State to 2.6 A Resolution: Flexibility and Function in the Head. Structure, 11, 1621-1627, (2003).
 
  Li,Y., Brown, J. H., Reshetnikova, L., Blazsek, A. , Farkas, L., Nyitray, L., and Cohen, C.
Visualization of an unstable coiled coil from the scallop myosin rod. Nature, 424, 341-345, (2003).
 
  Jeremiah E. Miller, Cristian Gradinaru, Brian R. Crane, Angel J. di Bilio, William A. Wehbi, Su Un, Jay R. Winkler and Harry B. Gray. Spectroscopy and Reactivity of a Photogenerated Tryptophan Radical in a Structurally Defined Protein Environment.
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  Murakami, K. S., Masuda, S., and Darst, S. A. Crystallographic Analysis of Thermus aquaticus RNA Polymerase Holoenzyme and a Holoenzyme[+45 degree rule]Promoter DNA Complex. Methods in Enzymology. In (Academic Press), pp. 42-53, (2003).
 
  Terrak, M., Wu, G., Stafford, W. F., Lu, R. C., Dominguez, R. Two distinct myosi