Publications
  • Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition. Brandt GS, Kneen MM, Petsko GA, Ringe D, McLeish MJ. J Am Chem Soc. 2010 Jan 20;132(2):438-9.

  • What are pharmacological chaperones and why are they interesting? Ringe D, Petsko GA. J Biol. 2009 Oct 13;8(9):80.

  • Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase. Landon MR, Lieberman RL, Hoang QQ, Ju S, Caaveiro JM, Orwig SD, Kozakov D, Brenke R, Chuang GY, Beglov D, Vajda S, Petsko GA, Ringe D. J Comput Aided Mol Des. 2009 Jun 12.

  • Hydrogen bond coupling in the ketosteroid isomerase active site. Sigala PA, Caaveiro JM, Ringe D, Petsko GA, Herschlag D. Biochemistry. 2009 Jul 28;48(29):6932-9.

  • Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability. Lieberman RL, D'aquino JA, Ringe D, Petsko GA. Biochemistry. 2009 Jun 9;48(22):4816-27.

  • Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor. Brandt GS, Kneen MM, Chakraborty S, Baykal AT, Nemeria N, Yep A, Ruby DI, Petsko GA, Kenyon GL, McLeish MJ, Jordan F, Ringe D. Biochemistry. 2009 Apr 21;48(15):3247-57.

  • A preliminary neutron diffraction study of gamma-chymotrypsin. Novak WR, Moulin AG, Blakeley MP, Schlichting I, Petsko GA, Ringe D. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 Mar 1;65(Pt 3):317-20. Epub 2009 Feb 26.

  • Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase. Chakraborty S, Nemeria NS, Balakrishnan A, Brandt GS, Kneen MM, Yep A, McLeish MJ, Kenyon GL, Petsko GA, Ringe D, Jordan F. Biochemistry. 2009 Feb 10;48(5):981-94.

  • Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. Sigala PA, Kraut DA, Caaveiro JM, Pybus B, Ruben EA, Ringe D, Petsko GA, Herschlag D.
    J Am Chem Soc. 2008 Oct 15;130(41):13696-708.

  • Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 2. Substrate modeling and active site mutations. Momb J, Wang C, Liu D, Thomas PW, Petsko GA, Guo H, Ringe D, Fast W. Biochemistry. 2008 Jul 22;47(29):7715-25.

  • Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures. Liu D, Momb J, Thomas PW, Moulin A, Petsko GA, Fast W, Ringe D. Biochemistry. 2008 Jul 22;47(29):7706-14.

  • Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Ataie NJ, Hoang QQ, Zahniser MP, Tu Y, Milne A, Petsko GA, Ringe D. Biochemistry. 2008 Jul 22;47(29):7673-83. Epub 2008 Jun 25.

  • Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester. Brandt GS, Nemeria N, Chakraborty S, McLeish MJ, Yep A, Kenyon GL, Petsko GA, Jordan F, Ringe D. Biochemistry. 2008 Jul 22;47(29):7734-43. Epub 2008 Jun 21.

  • Biochemistry. How enzymes work. Ringe D, Petsko GA. Science. 2008 Jun 13;320(5882):1428-9.

  • Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens. Liu D, Thomas PW, Momb J, Hoang QQ, Petsko GA, Ringe D, Fast W. Biochemistry. 2007 Oct 23;46(42):11789-99. Epub 2007 Sep 28.

  • Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms". Liu D, Pozharski E, Lepore BW, Fu M, Silverman RB, Petsko GA, Ringe D. Biochemistry. 2007 Sep 18;46(37):10517-27. Epub 2007 Aug 22.

  • X-ray crystallographic characterization of the Co(II)-substituted Tris-bound form of the aminopeptidase from Aeromonas proteolytica. Munih P, Moulin A, Stamper CC, Bennett B, Ringe D, Petsko GA, Holz RC. J Inorg Biochem. 2007 Aug;101(8):1099-107. Epub 2007 Apr 11.

  • Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease. Lieberman RL, Wustman BA, Huertas P, Powe AC Jr, Pine CW, Khanna R, Schlossmacher MG, Ringe D, Petsko GA. Nat Chem Biol. 2007 Feb;3(2):101-7. Epub 2006 Dec 24.

  • Direct crystallographic observation of an acyl-enzyme intermediate in the elastase-catalyzed hydrolysis of a peptidyl ester substrate: Exploiting the "glass transition" in protein dynamics. Ding X, Rasmussen BF, Petsko GA, Ringe D. Bioorg Chem. 2006 Dec;34(6):410-23. Epub 2006 Nov 2.

  • Structure and function of the 3-carboxy-cis,cis-muconate lactonizing enzyme from the protocatechuate degradative pathway of Agrobacterium radiobacter S2. Halak S, Lehtiö L, Basta T, Bürger S, Contzen M, Stolz A, Goldman A. FEBS J. 2006 Nov;273(22):5169-82. Epub 2006 Oct 20.