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Items: 1 to 50 of 173


Mechanism of Substrate Recognition and Catalysis of the Haloalkanoic Acid Dehalogenase Family Member α-Phosphoglucomutase.

Zhang C, Allen KN, Dunaway-Mariano D.

Biochemistry. 2018 Jul 31;57(30):4504-4517. doi: 10.1021/acs.biochem.8b00396. Epub 2018 Jul 13.


Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.

Ji T, Zhang C, Zheng L, Dunaway-Mariano D, Allen KN.

Biochemistry. 2018 Jun 26;57(25):3480-3492. doi: 10.1021/acs.biochem.8b00223. Epub 2018 May 11.


Catalytic Mechanism of the Hotdog-Fold Thioesterase PA1618 Revealed by X-ray Structure Determination of a Substrate-Bound Oxygen Ester Analogue Complex.

Latham JA, Ji T, Matthews K, Mariano PS, Allen KN, Dunaway-Mariano D.

Chembiochem. 2017 Oct 5;18(19):1935-1943. doi: 10.1002/cbic.201700322. Epub 2017 Aug 30.


Rational design of reversible inhibitors for trehalose 6-phosphate phosphatases.

Liu C, Dunaway-Mariano D, Mariano PS.

Eur J Med Chem. 2017 Mar 10;128:274-286. doi: 10.1016/j.ejmech.2017.02.001. Epub 2017 Feb 4.


Catalytic scaffolds for phosphoryl group transfer.

Allen KN, Dunaway-Mariano D.

Curr Opin Struct Biol. 2016 Dec;41:172-179. doi: 10.1016/ Epub 2016 Aug 13. Review.


Panoramic view of a superfamily of phosphatases through substrate profiling.

Huang H, Pandya C, Liu C, Al-Obaidi NF, Wang M, Zheng L, Toews Keating S, Aono M, Love JD, Evans B, Seidel RD, Hillerich BS, Garforth SJ, Almo SC, Mariano PS, Dunaway-Mariano D, Allen KN, Farelli JD.

Proc Natl Acad Sci U S A. 2015 Apr 21;112(16):E1974-83. doi: 10.1073/pnas.1423570112. Epub 2015 Apr 6.


Enzyme promiscuity: engine of evolutionary innovation.

Pandya C, Farelli JD, Dunaway-Mariano D, Allen KN.

J Biol Chem. 2014 Oct 31;289(44):30229-36. doi: 10.1074/jbc.R114.572990. Epub 2014 Sep 10. Review.


Structure and catalysis in the Escherichia coli hotdog-fold thioesterase paralogs YdiI and YbdB.

Wu R, Latham JA, Chen D, Farelli J, Zhao H, Matthews K, Allen KN, Dunaway-Mariano D.

Biochemistry. 2014 Jul 29;53(29):4788-805. doi: 10.1021/bi500334v. Epub 2014 Jul 18.


Divergence of substrate specificity and function in the Escherichia coli hotdog-fold thioesterase paralogs YdiI and YbdB.

Latham JA, Chen D, Allen KN, Dunaway-Mariano D.

Biochemistry. 2014 Jul 29;53(29):4775-87. doi: 10.1021/bi500333m. Epub 2014 Jul 18.


Structure of the trehalose-6-phosphate phosphatase from Brugia malayi reveals key design principles for anthelmintic drugs.

Farelli JD, Galvin BD, Li Z, Liu C, Aono M, Garland M, Hallett OE, Causey TB, Ali-Reynolds A, Saltzberg DJ, Carlow CK, Dunaway-Mariano D, Allen KN.

PLoS Pathog. 2014 Jul 3;10(7):e1004245. doi: 10.1371/journal.ppat.1004245. eCollection 2014 Jul.


Structure-guided approach for detecting large domain inserts in protein sequences as illustrated using the haloacid dehalogenase superfamily.

Pandya C, Dunaway-Mariano D, Xia Y, Allen KN.

Proteins. 2014 Sep;82(9):1896-906. doi: 10.1002/prot.24543. Epub 2014 May 2.


W. W. "Mo" Cleland: a catalytic life.

Dunaway-Mariano D, Holden HM, Raushel FM.

Biochemistry. 2013 Dec 23;52(51):9092-6. doi: 10.1021/bi4015709. Epub 2013 Dec 10.


Effects of alkoxy groups on arene rings of lignin β-O-4 model compounds on the efficiencies of single electron transfer-promoted photochemical and enzymatic C-C Bond Cleavage Reactions.

Lim SH, Nahm K, Ra CS, Cho DW, Yoon UC, Latham JA, Dunaway-Mariano D, Mariano PS.

J Org Chem. 2013 Sep 20;78(18):9431-43. doi: 10.1021/jo401680z. Epub 2013 Sep 11.


Neutron diffraction studies towards deciphering the protonation state of catalytic residues in the bacterial KDN9P phosphatase.

Bryan T, González JM, Bacik JP, DeNunzio NJ, Unkefer CJ, Schrader TE, Ostermann A, Dunaway-Mariano D, Allen KN, Fisher SZ.

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2013 Sep;69(Pt 9):1015-9. doi: 10.1107/S1744309113021386. Epub 2013 Aug 19.


Consequences of domain insertion on sequence-structure divergence in a superfold.

Pandya C, Brown S, Pieper U, Sali A, Dunaway-Mariano D, Babbitt PC, Xia Y, Allen KN.

Proc Natl Acad Sci U S A. 2013 Sep 3;110(36):E3381-7. doi: 10.1073/pnas.1305519110. Epub 2013 Aug 19.


Co-evolution of HAD phosphatase and hotdog-fold thioesterase domain function in the menaquinone-pathway fusion proteins BF1314 and PG1653.

Wang M, Song F, Wu R, Allen KN, Mariano PS, Dunaway-Mariano D.

FEBS Lett. 2013 Sep 2;587(17):2851-9. doi: 10.1016/j.febslet.2013.07.009. Epub 2013 Jul 10.


Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.

Daughtry KD, Huang H, Malashkevich V, Patskovsky Y, Liu W, Ramagopal U, Sauder JM, Burley SK, Almo SC, Dunaway-Mariano D, Allen KN.

Biochemistry. 2013 Aug 13;52(32):5372-86. doi: 10.1021/bi400659k. Epub 2013 Jul 29.


Design, synthesis, and evaluation of inhibitors of pyruvate phosphate dikinase.

Wu C, Dunaway-Mariano D, Mariano PS.

J Org Chem. 2013 Mar 1;78(5):1910-22. doi: 10.1021/jo3018473. Epub 2012 Nov 1.


Human brown fat inducible thioesterase variant 2 cellular localization and catalytic function.

Chen D, Latham J, Zhao H, Bisoffi M, Farelli J, Dunaway-Mariano D.

Biochemistry. 2012 Sep 4;51(35):6990-9. doi: 10.1021/bi3008824. Epub 2012 Aug 23.


The catalytic mechanism of the hotdog-fold enzyme superfamily 4-hydroxybenzoyl-CoA thioesterase from Arthrobacter sp. strain SU.

Song F, Thoden JB, Zhuang Z, Latham J, Trujillo M, Holden HM, Dunaway-Mariano D.

Biochemistry. 2012 Sep 4;51(35):7000-16. doi: 10.1021/bi301059m. Epub 2012 Aug 20.


Correlation of structure and function in the human hotdog-fold enzyme hTHEM4.

Zhao H, Lim K, Choudry A, Latham JA, Pathak MC, Dominguez D, Luo L, Herzberg O, Dunaway-Mariano D.

Biochemistry. 2012 Aug 21;51(33):6490-2. doi: 10.1021/bi300968n. Epub 2012 Aug 9.


Investigation of the catalytic mechanism of the hotdog-fold enzyme superfamily Pseudomonas sp. strain CBS3 4-hydroxybenzoyl-CoA thioesterase.

Zhuang Z, Latham J, Song F, Zhang W, Trujillo M, Dunaway-Mariano D.

Biochemistry. 2012 Jan 24;51(3):786-94. doi: 10.1021/bi2013917. Epub 2012 Jan 13.


The Enzyme Function Initiative.

Gerlt JA, Allen KN, Almo SC, Armstrong RN, Babbitt PC, Cronan JE, Dunaway-Mariano D, Imker HJ, Jacobson MP, Minor W, Poulter CD, Raushel FM, Sali A, Shoichet BK, Sweedler JV.

Biochemistry. 2011 Nov 22;50(46):9950-62. doi: 10.1021/bi201312u. Epub 2011 Oct 26. Review.


Divergence of structure and function in the haloacid dehalogenase enzyme superfamily: Bacteroides thetaiotaomicron BT2127 is an inorganic pyrophosphatase.

Huang H, Patskovsky Y, Toro R, Farelli JD, Pandya C, Almo SC, Allen KN, Dunaway-Mariano D.

Biochemistry. 2011 Oct 18;50(41):8937-49. doi: 10.1021/bi201181q. Epub 2011 Sep 21.


Homo sapiens dullard protein phosphatase shows a preference for the insulin-dependent phosphorylation site of lipin1.

Wu R, Garland M, Dunaway-Mariano D, Allen KN.

Biochemistry. 2011 Apr 19;50(15):3045-7. doi: 10.1021/bi200336b. Epub 2011 Mar 23.


Regioselectivity of enzymatic and photochemical single electron transfer promoted carbon-carbon bond fragmentation reactions of tetrameric lignin model compounds.

Cho DW, Latham JA, Park HJ, Yoon UC, Langan P, Dunaway-Mariano D, Mariano PS.

J Org Chem. 2011 Apr 15;76(8):2840-52. doi: 10.1021/jo200253v. Epub 2011 Mar 18.


Divergence of chemical function in the alkaline phosphatase superfamily: structure and mechanism of the P-C bond cleaving enzyme phosphonoacetate hydrolase.

Kim A, Benning MM, OkLee S, Quinn J, Martin BM, Holden HM, Dunaway-Mariano D.

Biochemistry. 2011 May 3;50(17):3481-94. doi: 10.1021/bi200165h. Epub 2011 Apr 8.


Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.

Li Z, Liu Z, Cho DW, Zou J, Gong M, Breece RM, Galkin A, Li L, Zhao H, Maestas GD, Tierney DL, Herzberg O, Dunaway-Mariano D, Mariano PS.

J Inorg Biochem. 2011 Apr;105(4):509-17. doi: 10.1016/j.jinorgbio.2010.12.012. Epub 2010 Dec 30.


Nature and kinetic analysis of carbon-carbon bond fragmentation reactions of cation radicals derived from SET-oxidation of lignin model compounds.

Cho DW, Parthasarathi R, Pimentel AS, Maestas GD, Park HJ, Yoon UC, Dunaway-Mariano D, Gnanakaran S, Langan P, Mariano PS.

J Org Chem. 2010 Oct 1;75(19):6549-62. doi: 10.1021/jo1012509.


X-ray structure and characterization of carbamate kinase from the human parasite Giardia lamblia.

Galkin A, Kulakova L, Wu R, Nash TE, Dunaway-Mariano D, Herzberg O.

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2010 Apr 1;66(Pt 4):386-90. doi: 10.1107/S1744309110004665. Epub 2010 Mar 26.


Divergence of biochemical function in the HAD superfamily: D-glycero-D-manno-heptose-1,7-bisphosphate phosphatase (GmhB).

Wang L, Huang H, Nguyen HH, Allen KN, Mariano PS, Dunaway-Mariano D.

Biochemistry. 2010 Feb 16;49(6):1072-81. doi: 10.1021/bi902018y.


Structural determinants of substrate recognition in the HAD superfamily member D-glycero-D-manno-heptose-1,7-bisphosphate phosphatase (GmhB) .

Nguyen HH, Wang L, Huang H, Peisach E, Dunaway-Mariano D, Allen KN.

Biochemistry. 2010 Feb 16;49(6):1082-92. doi: 10.1021/bi902019q.


Markers of fitness in a successful enzyme superfamily.

Allen KN, Dunaway-Mariano D.

Curr Opin Struct Biol. 2009 Dec;19(6):658-65. doi: 10.1016/ Epub 2009 Nov 2. Review.


Mechanisms of catalysis and inhibition operative in the arginine deiminase from the human pathogen Giardia lamblia.

Li Z, Kulakova L, Li L, Galkin A, Zhao Z, Nash TE, Mariano PS, Herzberg O, Dunaway-Mariano D.

Bioorg Chem. 2009 Oct;37(5):149-61. doi: 10.1016/j.bioorg.2009.06.001. Epub 2009 Jun 13.


X-ray structure and kinetic properties of ornithine transcarbamoylase from the human parasite Giardia lamblia.

Galkin A, Kulakova L, Wu R, Gong M, Dunaway-Mariano D, Herzberg O.

Proteins. 2009 Sep;76(4):1049-53. doi: 10.1002/prot.22469. No abstract available.


The Akt C-terminal modulator protein is an acyl-CoA thioesterase of the Hotdog-Fold family.

Zhao H, Martin BM, Bisoffi M, Dunaway-Mariano D.

Biochemistry. 2009 Jun 23;48(24):5507-9. doi: 10.1021/bi900710w.


The mechanism of domain alternation in the acyl-adenylate forming ligase superfamily member 4-chlorobenzoate: coenzyme A ligase.

Wu R, Reger AS, Lu X, Gulick AM, Dunaway-Mariano D.

Biochemistry. 2009 May 19;48(19):4115-25. doi: 10.1021/bi9002327.


Structural insights into the substrate binding and stereoselectivity of giardia fructose-1,6-bisphosphate aldolase.

Galkin A, Li Z, Li L, Kulakova L, Pal LR, Dunaway-Mariano D, Herzberg O.

Biochemistry. 2009 Apr 14;48(14):3186-96. doi: 10.1021/bi9001166.


The mechanisms of human hotdog-fold thioesterase 2 (hTHEM2) substrate recognition and catalysis illuminated by a structure and function based analysis.

Cao J, Xu H, Zhao H, Gong W, Dunaway-Mariano D.

Biochemistry. 2009 Feb 17;48(6):1293-304. doi: 10.1021/bi801879z.


Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.

Dai J, Finci L, Zhang C, Lahiri S, Zhang G, Peisach E, Allen KN, Dunaway-Mariano D.

Biochemistry. 2009 Mar 10;48(9):1984-95. doi: 10.1021/bi801653r.


Structure and function of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member.

Narayanan B, Niu W, Joosten HJ, Li Z, Kuipers RK, Schaap PJ, Dunaway-Mariano D, Herzberg O.

J Mol Biol. 2009 Feb 20;386(2):486-503. doi: 10.1016/j.jmb.2008.12.037. Epub 2008 Dec 24.


Enzyme function discovery.

Dunaway-Mariano D.

Structure. 2008 Nov 12;16(11):1599-600. doi: 10.1016/j.str.2008.10.001.


Structure-function analysis of 2-keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate phosphatase defines specificity elements in type C0 haloalkanoate dehalogenase family members.

Lu Z, Wang L, Dunaway-Mariano D, Allen KN.

J Biol Chem. 2009 Jan 9;284(2):1224-33. doi: 10.1074/jbc.M807056200. Epub 2008 Nov 5.


Human symbiont Bacteroides thetaiotaomicron synthesizes 2-keto-3-deoxy-D-glycero-D- galacto-nononic acid (KDN).

Wang L, Lu Z, Allen KN, Mariano PS, Dunaway-Mariano D.

Chem Biol. 2008 Sep 22;15(9):893-7. doi: 10.1016/j.chembiol.2008.08.005.


Mechanism of 4-chlorobenzoate:coenzyme a ligase catalysis.

Wu R, Cao J, Lu X, Reger AS, Gulick AM, Dunaway-Mariano D.

Biochemistry. 2008 Aug 5;47(31):8026-39. doi: 10.1021/bi800698m. Epub 2008 Jul 12.


Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase.

Reger AS, Wu R, Dunaway-Mariano D, Gulick AM.

Biochemistry. 2008 Aug 5;47(31):8016-25. doi: 10.1021/bi800696y. Epub 2008 Jul 12.

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