Research Topics
Genomes and Genes
| George N PhillipsSummaryAffiliation: University of Wisconsin Country: USA Publications
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Detail Information
Publications
Structures of proteins of biomedical interest from the Center for Eukaryotic Structural GenomicsGeorge N Phillips
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin Madison, Madison, WI 53706, USA
J Struct Funct Genomics 8:73-84. 2007..Many times proteins qualify in more than one of these categories. Here we review some of the structures that have connections to human health and disease...
The structure at 1.7 A resolution of the protein product of the At2g17340 gene from Arabidopsis thalianaEduard Bitto
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin Madison, USA
Acta Crystallogr Sect F Struct Biol Cryst Commun 61:630-5. 2005..The structure of At2g17340 represents a new fold in protein conformational space...
Structural basis for catalysis by onconaseJ Eugene Lee
Department of Biochemistry, University of Wisconsin Madison, Madison, WI 53706 1544, USA
J Mol Biol 375:165-77. 2008..No variant, however, was more toxic to human cancer cells than wild-type ONC. Together, these findings provide a cynosure for understanding catalysis of RNA cleavage in a system of high medicinal relevance...
Structure of Arabidopsis thaliana At1g77540 protein, a minimal acetyltransferase from the COG2388 familyRobert C Tyler
Center for Eukaryotic Structural Genomics, Biochemistry Department, College of Agricultural and Life Sciences, University of Wisconsin Madison, 433 Babcock Drive, Madison, Wisconsin 53706 1544, USA
Biochemistry 45:14325-36. 2006..This work establishes that the domain family COG2388 represents a novel class of acetyltransferase and provides insight into possible mechanistic roles of the conserved Cys76 and His41 residues of this family...
Structure and mechanism of an ADP-glucose phosphorylase from Arabidopsis thalianaJason G McCoy
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin 53706, USA
Biochemistry 45:3154-62. 2006..The value of K(eq) in the direction of ADP and glucose-1-P formation is 5.0 at pH 7.0 and 25 degrees C in the absence of a divalent metal ion, and it is 40 in the presence of 1 mM MgCl(2)...
Structure at 1.6 A resolution of the protein from gene locus At3g22680 from Arabidopsis thalianaSimon T M Allard
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin Madison, USA
Acta Crystallogr Sect F Struct Biol Cryst Commun 61:647-50. 2005..Protein At3g22680 shows no structural homology to any other known proteins and represents a new fold in protein conformation space...
X-ray structure of ILL2, an auxin-conjugate amidohydrolase from Arabidopsis thalianaEduard Bitto
Center for Eukaryotic Structural Genomics, University of Wisconsin Madison, Madison, Wisconsin 53706 1544, USA
Proteins 74:61-71. 2009..Overall, the structure of ILL2 suggests that this enzyme likely uses a catalytic mechanism that follows the paradigm established for the other enzymes of the M20 peptidase family...
Structure of human J-type co-chaperone HscB reveals a tetracysteine metal-binding domainEduard Bitto
Center for Eukaryotic Structural Genomics, University of Wisconsin Madison, Madison, Wisconsin 53706 1544, USA
J Biol Chem 283:30184-92. 2008..The normal mode analysis of HscB revealed that this L-shaped protein preferentially undergoes a scissors-like motion that correlates well with the conformational changes of human HscB observed in the crystals...
Structural and functional characterization of a novel phosphatase from the Arabidopsis thaliana gene locus At1g05000David J Aceti
Department of Biochemistry, The Center for Eukaryotic Structural Genomics, University of Wisconsin at Madison, Madison, Wisconsin 53706, USA
Proteins 73:241-53. 2008..Divalent metal cations were not required for activity and had little effect on the reaction...
Structure and mechanism of mouse cysteine dioxygenaseJason G McCoy
Center for Eukaryotic Structural Genomics and Department of Biochemistry, University of Wisconsin, Madison, 53706 1544, USA
Proc Natl Acad Sci U S A 103:3084-9. 2006..Details of the predicted active site are used to present and discuss a plausible mechanism of action for the enzyme...
Comparison of cell-based and cell-free protocols for producing target proteins from the Arabidopsis thaliana genome for structural studiesRobert C Tyler
Center for Eukaryotic Structural Genomics, University of Wisconsin-Madison, Wisconsin 53706, USA
Proteins 59:633-43. 2005..coli platform when successful yields more protein, as currently needed for crystallization trials for X-ray structure determination...
Structure of aspartoacylase, the brain enzyme impaired in Canavan diseaseEduard Bitto
Center for Eukaryotic Structural Genomics, University of Wisconsin, Madison, WI 53706 1544, USA
Proc Natl Acad Sci U S A 104:456-61. 2007..The structures also provide a structural framework necessary for understanding the deleterious effects of many missense mutations of human aspartoacylase...
Structure of an ETHE1-like protein from Arabidopsis thalianaJason G McCoy
Department of Biochemistry and Center for Eukaryotic Structural Genomics, University of Wisconsin Madison, WI, USA
Acta Crystallogr D Biol Crystallogr 62:964-70. 2006..In addition, the Arabidopsis ETHE1 protein is used as a model to explain the significance of several mutations in the human enzyme that have been observed in patients with ethylmalonic encephalopathy...
Discovery of sarcosine dimethylglycine methyltransferase from Galdieria sulphurariaJason G McCoy
Center for Eukaryotic Structural Genomics and Department of Biochemistry, University of Wisconsin, Madison, WI 53706, USA
Proteins 74:368-77. 2009..1 degrees C. Modeling of cofactor binding in the active site based on the structure of methoxy mycolic acid synthase 2 revealed a number of conserved interactions within the active site...
The structure at 2.4 A resolution of the protein from gene locus At3g21360, a putative Fe(II)/2-oxoglutarate-dependent enzyme from Arabidopsis thalianaEduard Bitto
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin-Madison, USA
Acta Crystallograph Sect F Struct Biol Cryst Commun 61:469-72. 2005..The metal-binding site was defined and is similar to the iron(II) binding sites found in other members of the superfamily...
Structural characterization of CalO2: a putative orsellinic acid P450 oxidase in the calicheamicin biosynthetic pathwayJason G McCoy
Department of Biochemistry, University of Wisconsin Madison, Madison, Wisconsin 53706 1544, USA
Proteins 74:50-60. 2009....
Membrane association, mechanism of action, and structure of Arabidopsis embryonic factor 1 (FAC1)Byung Woo Han
Department of Biochemistry, University of Wisconsin, Madison, WI 53706, USA
J Biol Chem 281:14939-47. 2006....
Structure and dynamics of UDP-glucose pyrophosphorylase from Arabidopsis thaliana with bound UDP-glucose and UTPJason G McCoy
Department of Biochemistry, University of Wisconsin Madison, Madison, WI 53706, USA
J Mol Biol 366:830-41. 2007..The structures and the observed dynamic changes provide insight into the ordered mechanism of this enzyme and previously described oligomerization effects on catalytic activity...
Structural analysis of fish versus mammalian hemoglobins: effect of the heme pocket environment on autooxidation and hemin lossRoman Aranda
Department of Biomolecular Chemistry, University of Wisconsin Madison, Madison, Wisconsin 53706, USA
Proteins 75:217-30. 2009..Generally rapid rates of lipid oxidation in fish muscle can be partly attributed to the fact that fish Hbs are highly susceptible to oxidative degradation...
Structural characterization of the mitomycin 7-O-methyltransferaseShanteri Singh
Division of Pharmaceutical Sciences, Wisconsin Center for Natural Product Research, School of Pharmacy, University of Wisconsin Madison, Madison, Wisconsin 53705, USA
Proteins 79:2181-8. 2011..Given the importance of C7 alkylation to modulate mitomycin redox potential, this study may also present a template toward the future engineering of catalysts to generate uniquely bioactive mitomycins...
X-ray crystal structures of the conserved hypothetical proteins from Arabidopsis thaliana gene loci At5g11950 and AT2g37210Won Bae Jeon
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
Proteins 65:1051-4. 2006
The Center for Eukaryotic Structural GenomicsJohn L Markley
Center for Eukaryotic Structural Genomics, Biochemistry Department, University of Wisconsin Madison, Madison, WI 53706, USA
J Struct Funct Genomics 10:165-79. 2009....
Structural consequences of effector protein complex formation in a diiron hydroxylaseLucas J Bailey
Department of Biochemistry, University of Wisconsin, 433 Babcock Drive, Madison, WI 53706 1544, USA
Proc Natl Acad Sci U S A 105:19194-8. 2008..This description provides insight into the functional role of effector protein binding in all carboxylate-bridged diiron hydroxylases...
Creating protein models from electron-density maps using particle-filtering methodsFrank DiMaio
Department of Computer Sciences, University of Wisconsin, Madison, WI 53706, USA
Bioinformatics 23:2851-8. 2007..Here, we use a sampling method known as particle filtering to produce a set of all-atom protein models. We use the output of ACMI to guide the particle filter's sampling, producing an accurate, physically feasible set of structures...
The structure and NO binding properties of the nitrophorin-like heme-binding protein from Arabidopsis thaliana gene locus At1g79260.1Christopher M Bianchetti
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin 53706, USA
Proteins 78:917-31. 2010..However, one of the two human homologs of nitrobindin contains a THAP domain, implying a possible role in apoptosis. Proteins 2010. (c) 2009 Wiley-Liss, Inc...
Crystal structure of the protein from gene At3g17210 of Arabidopsis thalianaCraig A Bingman
Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
Proteins 57:218-20. 2004
Structure and mechanism of the rebeccamycin sugar 4'-O-methyltransferase RebMShanteri Singh
Division of Pharmaceutical Sciences, School of Pharmacy, University of Wisconsin, Madison, Wisconsin 53705, USA
J Biol Chem 283:22628-36. 2008....
X-ray structure of a soluble Rieske-type ferredoxin from Mus musculusElena J Levin
Department of Biochemistry, University of Wisconsin, Madison, USA
Acta Crystallogr D Biol Crystallogr 64:933-40. 2008..Based on its high sequence identity, the structure of the human homolog is likely to be modeled well by the mouse Rieske-type ferredoxin structure...
Small-scale, semi-automated purification of eukaryotic proteins for structure determinationRonnie O Frederick
The University of Wisconsin Center for Eukaryotic Structural Genomics and Department of Biochemistry, University of Wisconsin, Room 141B, 433 Babcock Drive, Madison, WI 53706, USA
J Struct Funct Genomics 8:153-66. 2007....
A graphical approach to tracking and reporting target status in structural genomicsXiaokang Pan
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin Madison, 433 Babcock Drive, Madison, WI 53706, USA
J Struct Funct Genomics 8:209-16. 2007..This software package has facilitated inter-group communication, improved the quality and accuracy of information in our LIMS, and increased the efficiency and accuracy of our reports to PepcDB...
Inhibition of human pancreatic ribonuclease by the human ribonuclease inhibitor proteinR Jeremy Johnson
Department of Biochemistry, University of Wisconsin Madison, Madison, WI 53706 1544, USA
J Mol Biol 368:434-49. 2007..Together, these results provide new insight into an unusual and important protein-protein interaction, and could expedite the development of human ribonucleases as chemotherapeutic agents...
Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoningEduard Bitto
Center for Eukaryotic Structural Genomics, University of Wisconsin, Madison, Wisconsin 53706 1544, USA
J Biol Chem 281:20521-9. 2006..35 A) revealed that Pb(II) binds within the active site in a way that compromises function of the cationic cavity, which is required for the recognition and binding of the phosphate group of nucleotides...
Optimal design of thermally stable proteinsRyan M Bannen
Department of Biochemistry, University of Wisconsin Madison, Madison, WI 53706, USA
Bioinformatics 24:2339-43. 2008..The minimization problem is modeled as a shortest path problem in an acyclic graph with nonnegative weights and is solved efficiently using Dijkstra's method...
Interconversion of functional motions between mesophilic and thermophilic adenylate kinasesMichael D Daily
Department of Chemistry, University of Wisconsin Madison, Madison, Wisconsin, United States of America
PLoS Comput Biol 7:e1002103. 2011..This mutational framework can inform the rational design of functionally important flexibility and allostery in other proteins toward engineering novel biochemical pathways...
Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobinRoman Aranda
Department of Biomolecular Chemistry, University of Wisconsin, Madison, USA
Acta Crystallogr D Biol Crystallogr 62:776-83. 2006....
Structure and dynamics of gamma-SNAP: insight into flexibility of proteins from the SNAP familyEduard Bitto
Center for Eukaryotic Structural Genomics, University of Wisconsin Madison, Madison, Wisconsin 53706 1544, USA
Proteins 70:93-104. 2008..We discuss possible consequences related to the flexibility of the SNAP proteins for the mechanism of the 20S complex disassembly during the SNAP receptors recycling...
Structural characterization of CalO1: a putative orsellinic acid methyltransferase in the calicheamicin-biosynthetic pathwayAram Chang
Department of Biochemistry, University of Wisconsin Madison, Madison, Wisconsin 53706, USA
Acta Crystallogr D Biol Crystallogr 67:197-203. 2011..Consistent with the proposed requirement of an acyl-carrier-protein-bound substrate, this structural study also reveals structural determinants within CalO1 that are anticipated to accommodate an association with an acyl carrier protein...
Crystal structure of Homo sapiens thialysine Nepsilon-acetyltransferase (HsSSAT2) in complex with acetyl coenzyme AByung Woo Han
Department of Biochemistry, University of Wisconsin-Madison, 53706-1544, USA
Proteins 64:288-93. 2006
The structure at 1.6 Angstroms resolution of the protein product of the At4g34215 gene from Arabidopsis thalianaEduard Bitto
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin Madison, USA
Acta Crystallogr D Biol Crystallogr 61:1655-61. 2005..This residue is positioned in a catalytically competent conformation by nearby residues, including Gln159, Gly160 and Glu161, which are fully conserved in the carbohydrate esterase family 6 enzymes...
A probabilistic approach to protein backbone tracing in electron density mapsFrank DiMaio
Computer Sciences Dept, University of Wisconsin Madison, USA
Bioinformatics 22:e81-9. 2006..We test ACMI on a set of ten protein density maps (at 2.5 to 4.0 A resolution), and compare our results to alternative approaches. At these resolutions, ACMI offers a more accurate backbone trace than current approaches...
X-ray structure of Danio rerio secretagogin: A hexa-EF-hand calcium sensorEduard Bitto
Department of Biochemistry, Center for Eukaryotic Structural Genomics, University of Wisconsin Madison, 53706 1544, USA
Proteins 76:477-83. 2009....
Application of elastic network models to proteins in the crystalline stateDemian Riccardi
Program of Computation and Informatics in Biology and Medicine, University of Wisconsin Madison, Madison, Wisconsin, USA
Biophys J 96:464-75. 2009..Finally, investigation of the scaling behaviors of the cumulative density of states and the heat capacity indicates that there are still gaps between simplified elastic models and all-atom models for proteins...
Roles of static and dynamic domains in stability and catalysis of adenylate kinaseEuiyoung Bae
Department of Biochemistry, University of Wisconsin, Madison, WI 53706, USA
Proc Natl Acad Sci U S A 103:2132-7. 2006..Our results highlight specific contributions of dynamics to catalysis in adenylate kinase. Furthermore, the overall strategy and the specific mutagenesis method used in this study can be generally applied...
Effect of low-complexity regions on protein structure determinationRyan M Bannen
Department of Biochemistry, University of Wisconsin Madison, 433 Babcock Drive, Madison, WI 53711, USA
J Struct Funct Genomics 8:217-26. 2007....
Structure of cellobiose phosphorylase from Clostridium thermocellum in complex with phosphateChristopher M Bianchetti
Department of Biochemistry, University of Wisconsin Madison, Madison, WI 53706, USA
Acta Crystallogr Sect F Struct Biol Cryst Commun 67:1345-9. 2011..The 2.4 Å resolution X-ray crystal structure of C. thermocellum CBP reveals the residues involved in coordinating the catalytic phosphate as well as the residues that are likely to be involved in substrate binding and discrimination...
Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificityAram Chang
Department of Biochemistry, University of Wisconsin, 433 Babcock Drive, Madison, WI 53706, USA
Proc Natl Acad Sci U S A 108:17649-54. 2011..Multiple glycosyltransferase structures in a single natural product biosynthetic pathway are a valuable resource for understanding regiospecific reactions and substrate selectivities and will help future glycosyltransferase engineering...
Protein structural variation in computational models and crystallographic dataDmitry A Kondrashov
Department of Biochemistry, University of Wisconsin, Madison, Madison, WI 53706, USA
Structure 15:169-77. 2007..The comprehensive evaluation demonstrates the costs and benefits of using normal mode potentials of varying complexity...
Spherical-harmonic decomposition for molecular recognition in electron-density mapsFrank P DiMaio
Department of Computer Sciences, University of Wisconsin, 1210 W Dayton St, Madison, WI, USA
Int J Data Min Bioinform 3:205-27. 2009..We show our new template-matching method improves accuracy and reduces running time, compared to previous approaches. Finally, we extend our method to produce a structural-homology detection algorithm using electron density...
The structure of flavin-dependent tryptophan 7-halogenase RebHEduard Bitto
Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
Proteins 70:289-93. 2008
The structure at 2.5 A resolution of human basophilic leukemia-expressed protein BLES03Eduard Bitto
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin Madison, USA
Acta Crystallogr Sect F Struct Biol Cryst Commun 61:812-7. 2005..It is hypothesized that BLES03 itself may be involved in a biochemical process that requires recognition of nucleic acids...
Crystal structure of gene locus At3g16990 from Arabidopsis thalianaPaul G Blommel
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
Proteins 57:221-2. 2004
A phyloproteomic characterization of in vitro autophosphorylation in calcium-dependent protein kinasesAdrian D Hegeman
University of Wisconsin Biotechnology Center, Madison, 53706, USA
Proteomics 6:3649-64. 2006..Homology models were generated for the protein kinase and calmodulin-like domains, each containing two of the five conserved sites, to allow intelligent speculation regarding subsequent lines of investigation...
Protocols for production of selenomethionine-labeled proteins in 2-L polyethylene terephthalate bottles using auto-induction mediumHassan K Sreenath
Department of Biochemistry, Center for Eukaryotic Structural Genomics, University of Wisconsin Madison, 433 Babcock Drive, Madison, WI 53706 1549, USA
Protein Expr Purif 40:256-67. 2005..These protein preparations have been utilized to solve X-ray crystal structures by multiwavelength anomalous diffraction phasing...
Structure of T4moC, the Rieske-type ferredoxin component of toluene 4-monooxygenaseLuke A Moe
Department of Biochemistry, University of Wisconsin-Madison, USA
Acta Crystallogr D Biol Crystallogr 62:476-82. 2006..These structural differences are identified as possible contributors to the evolutionary specialization of soluble Rieske-type ferredoxins between the diiron monooxygenases and cis-dihydrodiol-forming dioxygenases...
Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thalianaDavid W Smith
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
Proteins 57:854-7. 2004
Comparison of apo- and heme-bound crystal structures of a truncated human heme oxygenase-2Christopher M Bianchetti
Graduate Program in Biophysics, Center for Eukaryotic Structural Genomics, University of Wisconsin, Madison, WI 53706, USA
J Biol Chem 282:37624-31. 2007..Tyr(154), Lys(199), and Arg(203) orient the heme through direct interactions with the heme propionates. The rearrangements of side chains in heme-bound HO-2 compared with apoHO-2 further elucidate HO-2 heme interactions...
Expanding the nucleotide and sugar 1-phosphate promiscuity of nucleotidyltransferase RmlA via directed evolutionRocco Moretti
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin 53706, USA
J Biol Chem 286:13235-43. 2011....
Bis-methionyl coordination in the crystal structure of the heme-binding domain of the streptococcal cell surface protein ShpRoman Aranda
Department of Biomolecular Chemistry, University of Wisconsin Madison, Madison, WI 53706, USA
J Mol Biol 374:374-83. 2007..Gel filtration and analytical ultracentrifugation studies indicate that both full-length Shp and Shp(180) are monomeric in dilute aqueous solution...
Bioinformatic method for protein thermal stabilization by structural entropy optimizationEuiyoung Bae
Departments of Biochemistry and Computer Science, University of Wisconsin, Madison, WI 53706, USA
Proc Natl Acad Sci U S A 105:9594-7. 2008..ICE does not require a three-dimensional structure or a large number of homologous sequences, indicating a broad applicability of this method. Our results also highlight the importance of entropy in the stability of protein structures...
Structure and interactions of the first three RNA recognition motifs of splicing factor prp24Euiyoung Bae
Department of Biochemistry, University of Wisconsin, Madison, WI 53706, USA
J Mol Biol 367:1447-58. 2007..Our results suggest that Prp24 binds free U6 RNA primarily with RRMs 1 and 2, which may remodel the U6 secondary structure. The beta-sheet of RRM 3 then influences U4/U6 pairing through interaction with an unidentified ligand...
Ensemble refinement of protein crystal structures: validation and applicationElena J Levin
Department of Biochemistry, University of Wisconsin Madison, Madison, WI 53706, USA
Structure 15:1040-52. 2007..These gains are essentially independent of resolution or data-to-parameter ratio, suggesting that even structures at moderate resolution can benefit from ensemble refinement...
Crystal structure of Homo sapiens protein LOC79017Euiyoung Bae
Center for Eukaryotic Structural Genomics, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
Proteins 70:588-91. 2008
Sampling of the native conformational ensemble of myoglobin via structures in different crystalline environmentsDmitry A Kondrashov
Department of Biochemistry, University of Wisconsin Madison, Madison, Wisconsin 53706, USA
Proteins 70:353-62. 2008..8. This suggests that crystal packing selects conformers representative of the solution ensemble, and several different crystal forms give a more complete view of the plasticity of a protein structure...
Kinetic proofreading by the cavity system of myoglobin: protection from poisoningWilson Radding
Department of Biochemistry, University of Wisconsin Madison, Madison, Wisconsin, USA
Bioessays 26:422-33. 2004..The non-equilibrium nature of part 2 should promote the proofreading function of part 1. A simulation using the model demonstrates that the cavity system can in principle proofread, reducing mitochondrial enzyme contamination...
Structures and analysis of highly homologous psychrophilic, mesophilic, and thermophilic adenylate kinasesEuiyoung Bae
Department of Biochemistry, University of Wisconsin, Madison, WI 53706, USA
J Biol Chem 279:28202-8. 2004....
X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1Brian G Fox
University of Wisconsin Center for Eukaryotic Structural Genomics, University of Wisconsin-Madison, 53706, USA
Proteins 61:206-8. 2005
Project management system for structural and functional proteomics: SesameZsolt Zolnai
Center for Eukaryotic Structural Genomics, Department of Biochemistry, University of Wisconsin Madison, Madison Wisconsin 53706, USA
J Struct Funct Genomics 4:11-23. 2003..This software is available to parties interested in using it and assisting to guide its further development...
GRAPE: GRaphical Abstracted Protein ExplorerGregory Cipriano
Department of Computer Sciences, University of Wisconsin Madison Madison, WI 53715, USA
Nucleic Acids Res 38:W595-601. 2010..Abstracted views provide a fast way to assess both a molecule's shape and its different surface field distributions. GRAPE is freely available at http://grape.uwbacter.org...
Dynamics of proteins in crystals: comparison of experiment with simple modelsSibsankar Kundu
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin 53706, USA
Biophys J 83:723-32. 2002..By incorporating the effect of neighboring molecules in the crystal the correlation is further improved...
Identifying and engineering ion pairs in adenylate kinases. Insights from molecular dynamics simulations of thermophilic and mesophilic homologuesEuiyoung Bae
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin 53706, USA
J Biol Chem 280:30943-8. 2005..These results provide specific knowledge about stability in adenylate kinases and more generally suggest that molecular dynamics simulations can provide valuable information for identifying and engineering ion pairs...
Many local motions cooperate to produce the adenylate kinase conformational transitionMichael D Daily
Department of Chemistry, University of Wisconsin Madison, 1101 University Avenue, Madison, WI 53706, USA
J Mol Biol 400:618-31. 2010..Finally, the analytical approach and the insights derived from this work may inform the rational design of flexibility and allostery in proteins...
Automatic domain decomposition of proteins by a Gaussian Network ModelSibsankar Kundu
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin 53706, USA
Proteins 57:725-33. 2004..Apart from decomposing proteins into structural domains, the algorithm can generally be applied to any large macromolecular system to decompose it into motionally decoupled sub-systems...
Defining the sequence-recognition profile of DNA-binding moleculesChristopher L Warren
Department of Biochemistry, University of Wisconsin, Madison, WI 53706, USA
Proc Natl Acad Sci U S A 103:867-72. 2006..Solution studies strongly corroborated the sequence preferences identified by the array analysis...
Crystallization and preliminary X-ray crystallographic analysis of adenosine 5'-monophosphate deaminase (AMPD) from Arabidopsis thaliana in complex with coformycin 5'-phosphateByung Woo Han
Department of Biochemistry, University of Wisconsin Madison, WI 53706 1544, USA
Acta Crystallogr Sect F Struct Biol Cryst Commun 61:740-2. 2005..325, c = 208.254 A, alpha = beta = 90, gamma = 120 degrees. Diffraction data were collected to 3.34 A resolution from a crystal in complex with coformycin 5'-phosphate and to 4.05 A resolution from a crystal of a mercury derivative...
Optimization and evaluation of a coarse-grained model of protein motion using x-ray crystal dataDmitry A Kondrashov
Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin, USA
Biophys J 91:2760-7. 2006..The addition of simple chemical information results in better prediction quality without increasing the size of the coarse-grained model...
X-ray structure of Arabidopsis At2g06050, 12-oxophytodienoate reductase isoform 3Thomas E Malone
Molecular and Environmental Toxicology Program, University of Wisconsin-Madison, 53706, USA
Proteins 58:243-5. 2005
Molecular engineering of myoglobin: influence of residue 68 on the rate and the enantioselectivity of oxidation reactions catalyzed by H64D/V68X myoglobinHui-Jun Yang
Department of Structural Molecule Science, The Graduate University for Advanced Studies, Okazaki, Myodaiji 444-8585, Japan
Biochemistry 42:10174-81. 2003..e., H(2)O(2), ABTS, thioanisole) and (2) the polar interactions between tightly hydrogen-bonded water molecules and substrates...
Watching a protein as it functions with 150-ps time-resolved x-ray crystallographyFriedrich Schotte
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892, USA
Science 300:1944-7. 2003....
SOMoRe: a multi-dimensional search and optimization approach to molecular replacementDiane C Jamrog
Department of Computational and Applied Mathematics, Rice University, Houston, Texas, USA
Acta Crystallogr D Biol Crystallogr 59:304-14. 2003..Based on these results, this new strategy promises to extend the applicability and robustness of MR...
Asymmetric sulfoxidation and amine binding by H64D/V68A and H64D/V68S Mb: mechanistic insight into the chiral discrimination stepShigeru Kato
Department of Structural Molecular Science, The Graduate University for Advanced Studies, Okazaki 444-8585, Japan
J Am Chem Soc 124:8506-7. 2002..The kinetic study of the amine binding shows that the Fe-O bond cleavage in the intermediate may be the chiral discrimination step of the sulfoxidation...
Bis-methionine ligation to heme iron in the streptococcal cell surface protein Shp facilitates rapid hemin transfer to HtsA of the HtsABC transporterYanchao Ran
Department of Veterinary Molecular Biology, Montana State University, Bozeman, Montana 59718, USA
J Biol Chem 282:31380-8. 2007....
Structures of thermophilic and mesophilic adenylate kinases from the genus MethanococcusAngela R Criswell
Department of Biochemistry and Cell Biology, Rice University, Houston, TX 77005, USA
J Mol Biol 330:1087-99. 2003..Results of previous mutational studies are interpreted in terms of the crystal structures, and support the importance of hydrophobic interactions in thermostability...
Understanding protein flexibility through dimensionality reductionMiguel L Teodoro
Department of Biochemistry and Cell Biology and Department of Computer Science, Rice University, 6100 Main Street, MS 140, Houston, TX 77005, USA
J Comput Biol 10:617-34. 2003....
Structure of the hypothetical protein At3g17210 from Arabidopsis thalianaBetsy L Lytle
J Biomol NMR 28:397-400. 2004
High-throughput purification and quality assurance of Arabidopsis thaliana proteins for eukaryotic structural genomicsWon Bae Jeon
The Center for Eukaryotic Structural Genomics, University of Wisconsin-Madison, 433 Bobcock Drive, 53706-1549, USA
J Struct Funct Genomics 6:143-7. 2005..The protocols have been used successfully to provide high quality proteins that are suitable for structural studies by X-ray crystallography and NMR...
Probing substates in sperm whale myoglobin using high-pressure crystallographyPaul Urayama
Department of Physics, Cornell University, Ithaca, NY 14853, USA
Structure 10:51-60. 2002..Correlation with low-pH structures suggests observed structural changes are associated with global conformational substates. Methods developed here open up a direct avenue for exploration of the effects of pressure on proteins...
Identification of transcribed sequences in Arabidopsis thaliana by using high-resolution genome tiling arraysViktor Stolc
NASA ARC
Proc Natl Acad Sci U S A 102:4453-8. 2005..Transcription activities were also detected for many of the intergenic regions and the small RNAs, including tRNA, small nuclear RNA, small nucleolar RNA, and microRNA. Expression of tRNAs correlates with genome-wide amino acid usage...
Biophysical and kinetic characterization of HemAT, an aerotaxis receptor from Bacillus subtilisWei Zhang
Department of Biochemistry and Cell Biology, W M Keck Center for Computational Biology, Rice University, Houston, Texas 77005, USA
Biophys J 88:2801-14. 2005..The unusual ligand-binding properties of HemAT suggest that asymmetry and apparent negative cooperativity play an important role in the signal transduction pathway...
Structure of the oxygen sensor in Bacillus subtilis: signal transduction of chemotaxis by control of symmetryWei Zhang
Department of Biochemistry and Cell Biology, Rice University, Houston, TX 77005, USA
Structure 11:1097-110. 2003..Tyrosine70 shows distinct conformational changes on one subunit when ligands are removed. Our study suggests that disruption of the symmetry of HemAT plays an important role in initiating the chemotaxis signaling transduction cascade...
Molecular mechanisms of calcium and magnesium binding to parvalbuminM Susan Cates
Department of Biochemistry and Cell Biology, Rice University, Houston, Texas 77005, USA
Biophys J 82:1133-46. 2002....
