Research Publications (2001-2005):

89. Investigation of the Catalytic Site within the ATP-Grasp Domain of Clostridium symbiosum Pyruvate Phosphate Dikinase.D. Ye, M. Wei, M. McGuire, K. Huang, G. Kapadia, O. Herzberg, B.M. Martin, and D. Dunaway-Mariano. (2001) J. Biol. Chem. 276:37630-37639.

90. Histidine 90 Fuction in 4-Chlorobenzoyl-Coenzyme A Dehalogenase Catalysis. W. Zhang, Y. Wei, L. Luo, K.L.Taylor, G. Yang, and D. Dunaway-Mariano ; M.M.Benning and H.M. Holden (2001) Biochemistry 40:13474-13482.

91. Investigation of the Role of the Domain Linkers in Separate Site Catalysis by Clostridium symbiosum Pyruvate Phosphate Dikinase. M. Wei, D. Ye, and D. Dunaway-Mariano (2001) Biochemistry 40: 13466-13473.

92. Role of Active Site Binding Interactions in 4-Chlorobenzoyl-Coenzyme A Dehalogenase Catalysis. L. Luo, K. L. Taylor, H. Xiang, Y. Wei, W. Zhang, and D. Dunaway-Mariano (2001) Biochemistry 40: 15684-15692.

93. Pyruvate Site of Pyruvate Phosphate Dikinase: Crystal Structure of the Enzyme-Phosphonopyruvate Complex, and Mutant Analysis.O. Herzberg, C.C.H. Chen, S. Liu, A. Tempczyk, A. Howard, M. Wei, D. Ye, and D. Dunaway-Mariano.(2002) Biochemistry 41:780-787.

94 .Determination of the chlorine kinetic isotope effect, on the 4-chlorobenzoyl-CoA dehalogenase-catalyzed nucleophilic aromatic substitution. A. Lewandowicz, J. Rudzinski, L. Luo, D. Dunaway-Mariano and P. Paneth. (2002) Archives of Biochemistry and Biophysics, 398:249-252.

95. Crystallization and Preliminary X-Ray Diffraction Studies of Beta-Phosphoglucomutase from Lactococcus Lactus. S.D.Lahiri, G. Zhang, P. Radstrom, D. Dunaway-Mariano and K.N. Allen. (2002) Acta Crystallographica Section D-Biological Crystallography, 58:324-326.

96. The YbgC Protein Encoded by the ybgC Gene of the tol-pal Gene Cluster of Haemophilus Influenzae Catalyzes Acyl-Coenzyme A Thioester Hydrolysis.Z. Zhuang, F. Song, B.M. Martin and D. Dunaway-Mariano.(2002) FEBS Letters, 516:161-163.

97. Raman Evidence for Meisenheimer Complex Formation in the Hydrolysis Reactions of 4-Fluorobenzoyl- and 4-Nitrobenzoyl-Coenzyme A Catalyzed by 4-Chlorobenzyol-Coenzyme A Dehydrogenese. J. Dong, P.R. Carey; Y. Wei, L. Luo, X. Lu, R. Liu and D.Dunaway-Mariano. (2002) Biochemistry, 41:7453-7463.

98. Caught in the Act: The Structure of Phosphorylated Beta-Phosphoglucomutase from Lactococcus lactis.S.D Lahiri, G. Zhang, D. Dunaway-Mariano and K.N.Allen. (2002)Biochemistry, 41:8351-8359.

99. The 2-Aminoethylphosphonate-Specific Transaminase of the 2-Aminoethylphosphonate Degradation Pathway. A. D. Kim, A.S. Baker, D.Dunaway-Mariano, W.W.Metcalf, B.L.Wanner, and Brian M. Martin. (2002) J.Bacteriology, 184:4134-4140.

100. X-ray Crystallographic Analysis of Inhibitor and Substrate Complexes of Wild-type and Mutant 4-Hydroxybenzoyl-CoA Thioesterase. J. B. Thoden, H. M. Holden, Z. Zhuang, and D. Dunawy-Mariano. (2002) J. Biol. Chem. 277:27468-27476.

101. Dissociative Phosphoryl Transfer in PEP Mutase Catalysis: Structure of the Enzyme/Sulfopyruvate Complex and Kinetic Properties of Mutants. S.Liu, Z. Lu, Y. Jia, D. Dunaway-Mariano, and O. Herzberg.(2002) Biochemistry, 41:10270-10276.

102. Kinetic, Raman, NMR, and Site-Directed Mutagenesis Studies of the Pseudomonas Sp. Strain CBS3 4-Hydroxybenzoyl-CoA Thioesterase Active Site. Z. Zhuang, F. Song, W. Zhang, K. Taylor, A. Archambault, D. Dunaway-Mariano; J. Dong and P. R. Carey. (2002) Biochemistry, 41:11152-11160.

103. Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase.  Celia C. H. Chen, H. Zhang, A. D. Kim, A. Howard, G. M. Sheldrick, D. Mariano-Dunaway and O. Herzberg. (2002) Biochemistry, 41:13162-13169.

104. Kinetic Evidence for a Substrate-Induced Fit in Phosphonoacetaldehyde Hydrolase Catalysis. Guofeng Zhang, Andrew S. Mazurkie, Debra Dunaway-Mariano and Karen N. Allen.(2002) Biochemistry, 41:13370-13377.

105. The Pentacovalent Phosphorous intermediate of a Phosphoryl transfer Reaction.S.D Lahiri, G. Zhang, D. Dunaway-Mariano and K.N.Allen. (2003) Science, 299:2067-2071. [Supportting material] [Perspective] [comment] [response]

106.  Characterization of the 4-Hydroxybenzoyl-Coenzyme A Thioesterase from Arthrobacter sp. Strain SU.  Zhihao Zhuang, Karl-Heinz Gartemann, Rudolf Eichenlaub and Debra Dunaway-Mariano. (2003) Applied and Environmental Microbiology, 69(5):2707-2711.

107. The Strength of Dehalogenase-Substrate Hydrogen Bonding Correlates with the Rate of Meisenheimer Intermediate Formation. Jian Dong, Xuefeng Lu, Yansheng Wei, Lusong Luo, Debra Dunaway-Mariano and Paul R. Carey. (2003) Biochemistry, 42(31): 9482-9490.

108. The Structure of 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. strain SU. James B. Thoden, Zhihao Zhuang, Debra Dunaway-Mariano and Hazel M. Holden. (2003) J. Biol. Chem. 278(44): 43709-43716.

109. The Phosphonopyruvate Decarboxylase from Bacteroides fragilis.Guofeng Zhang, Jiaying Dai, Zhibing Lu and Debra Dunaway-Mariano. (2003) J. Biol. Chem. 278:41302 - 41308.

110. Enzymatic synthesis of radiolabeled phosphonoacetaldehyde. Guofeng Zhang, Karen N. Allen and Debra Dunaway-Marianoa. (2003) Analytical Biochemistry 322: 233-237.

111. Kinetic Analysis of Enzyme Mutants for Identification of Catalytic Residues. Yansheng Wei, Lusong Luo, Wenhai Zhang and Debra Dunaway-Mariano. (2003) Kinetic Analysis of Macromolecules---A Pratical Approach, Chapter10: 229-249.

112. The BH1999 Protein of Bacillus halodurans C-125 Is Gentisyl-Coenzyme A Thioesterase. Zhihao Zhuang, Feng Song, Hideto Takami, and Debra Dunaway-Mariano. (2004) J. Bacteriol. 186: 393-399.

113. X-ray Crystallographic and Site-directed Mutagenesis Analysis of the Mechanism of Schiff-Base Formation in Phosphonoacetaldehyde Hydrolase Catalysis. Marc C. Morais, Guofeng Zhang, Wenhai Zhang, David B. Olsen, Debra Dunaway-Mariano and Karen N. Allen. (2004) J. Biol. Chem., 279: 9353 - 9361.

114. Analysis of the Substrate Specificity Loop of the HAD Superfamily Cap Domain.  Sushmita D. Lahiri, Guofeng Zhang, Jianying Dai, Debra Dunaway-Mariano, and Karen N. Allen. (2004) Biochemistry, 43(10): 2812 - 2820.

115. Conformational Flexibility of PEP Mutase. Sijiu Liu, Zhibing Lu, Ying Han, Yong Jia, Andrew Howard, Debra Dunaway-Mariano, and Osnat Herzberg. (2004) Biochemistry, 43(15):4447-4453.

116. Investigation of Metal Ion Binding in Phosphonoacetaldehyde Hydrolase Identifies Sequence Markers for Metal-Activated Enzymes of the HAD Enzyme Superfamily. Guofeng Zhang, Marc C. Morais, Jianying Dai, Wenhai Zhang, Debra Dunaway-Mariano, and Karen N. Allen. (2004) Biochemistry, 43(17): 4990 - 4997. [Supporting material]

117. Arginine deiminase uses an active-site cysteine in nucleophilic catalysis of L-arginine hydrolysis. Lu, Xuefeng, Galkin, Andrey, Herzberg, Osnat,  and Dunaway-Mariano, Debra.  (2004) Journal of the American Chemical Society, 126(17): 5374-5375.

118. Crystal Structure of 4-Chlorobenzoate:CoA Ligase/Synthetase in the Unliganded and Aryl Substrate-Bound States.  Andrew M. Gulick, Xuefeng Lu, and Debra Dunaway-Mariano. (2004) Biochemistry, 43: 8670-8679.

119. Phosphoryl group transfer: evolution of a catalytic scaffold. Allen KN, and Dunaway-Mariano D. (2004) Trends Biochem Sci. 29(9): 495-503.

120. X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily. Ezra Peisach, Jeremy D. Selengut, Debra Dunaway-Mariano, and Karen N. Allen. (2004) Biochemistry, 43: 12770-12779. [Supporting material]

121. QM/MM Studies of the Enzyme-Catalyzed Dechlorination of 4-Chlorobenzoyl-CoA Provide Insight into Reaction Energetics. Dingguo Xu, Yanseng Wei, Jingbo Wu, Debra Dunaway-Mariano, Hua Guo, Qiang Cui, and Jiali Gao. (2004) J. Am. Chem. Soc., 126(42): 13649-13658.

122. Crystal structures of 2-methylisocitrate lyase in complex with product and with isocitrate inhibitor provide insight into lyase substrate specificity, catalysis and evolution. Liu S, Lu Z, Han Y, Melamud E, Dunaway-Mariano D, and Herzberg O. (2005) Biochemistry 44(8):2949-2962.

123. Structure of YciI from Haemophilus influenzae (HI0828) reveals a ferredoxin-like alpha/beta-fold with a histidine/aspartate centered catalytic site. Willis MA, Song F, Zhuang Z, Krajewski W, Chalamasetty VR, Reddy P, Howard A, Dunaway-Mariano D, and Herzberg O. (2005) Proteins 59(3):648-652.

124. Chemical Confirmation of a Pentavalent Phosphorane in Complex with beta-Phosphoglucomutase. Tremblay LW, Zhang G, Dai J, Dunaway-Mariano D, and Allen KN. (2005) J Am Chem Soc., 127(15):5298-9. [Supportting material]

125. Raman evidence for product binding to the enzyme W137F 4-chlorobenzoyl-CoA dehalogenase in two conformational states.Jian Dong, Lusong Luo, Debra Dunaway-Mariano and Paul R. Carey. (2005) J. Raman Spectrosc. 36(4): 320?325.

126. HAD Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of HAD Subclass IIB Sugar Phosphatase BT4131. Zhibing Lu, Debra Dunaway-Mariano, and Karen N. Allen. (2005) Biochemistry  44: 8684-8696.

127. Catalytic cycling in beta-phosphoglucomutase: a kinetic and structural analysis. Zhang G, Dai J, Wang L, Dunaway-Mariano D, Tremblay LW, Allen KN. (2005 ) Biochemistry 44(27):9404-16.

128. Crystal structures representing the Michaelis complex and the Thiouronium reaction intermediate of Pseudomonas aeruginosa arginine deiminase. Galkin A, Lu X, Dunaway-Mariano D, Herzberg O. (2005) J Biol Chem. 280(40):34080-7.

129. L-canavanine is a time-controlled mechanism-based inhibitor of Pseudomonas aeruginosa arginine deiminase. Lu X, Li L, Feng X, Wu Y, Dunaway-Mariano D, Engen JR and Mariano PS. (2005) J. Am. Chem. Soc. 127(47):16412-16413. [Supporting material]

130. Diversity of Function in the Isocitrate Lyase Enzyme Superfamily: The Dianthus caryophyllus Petal Death Protein Cleaves alpha-Keto and alpha-Hydroxycarboxylic Acids. Lu Z, Feng X, Song L, Han Y, Kim A, Herzberg O, Woodson WR, Martin BM, Mariano PS and Dunaway-Mariano D. (2005) Biochemistry 44(50):16365-16376.

131. Crystal Structure of the Petal Death Protein from Carnation Flower. Teplyakov A, Liu S, Lu Z, Howard A, Dunaway-Mariano D an Herzberg O. (2005) Biochemistry 44(50):16377-16384.