Summaries of 2013-2014 HWI Publications


Altan I, Charbonneau P, Snell EH. Computational crystallization. Arch Biochem Biophys. 2016 Jan 11. pii: S0003-9861(16)30004-2. [Epub ahead of print] PMID: 26792536

Drake EJ, Miller BR, Shi C, Tarrasch JT, Sundlov JA, Allen CL, Skiniotis G, Aldrich CC, Gulick AM. Structures of two distinct conformations of holo-non-ribosomal peptide synthetases. Nature. 2016 Jan 14;529(7585):235-8. PMID: 26762461

Lucido MJ, Orlando BJ, Vecchio AJ, Malkowski MG. Crystal structure of aspirin-acetylated human cyclooxygenase-2: Insight into the formation of products with reversed stereochemistry. Biochemistry. 2016 Mar 1;55(8):1226-38. Epub 2016 Feb 19. PMID: 26859324

Miller BR, Gulick AM.  Structural biology of nonribosomal peptide synthetases. Methods Mol Biol. 2016;1401:3-29. PMID: 26831698

Sutton K, Breen J, Russo T, Schultz LW, Umland T. Crystal structure of 5-enolpyruvylshikimate-3-phosphate (EPSP) synthase from the ESKAPE pathogen Acinetobacter baumannii. Acta Crystallogr F Struct Biol Commun. 2016 Mar 1;72(Pt 3):179-87. Epub 2016 Feb 16. PMID: 26919521


Anand A, LeDoyt M, Karanian C, Luthra A, Koszelak-Rosenblum M, Malkowski MG, Puthenveetil R, Vinogradova O, Radolf JD. Bipartite topology of Treponema pallidum repeat proteins C/D and I: outer membrane insertion and porin function require a C-terminal β-barrel domain.
J Biol Chem. 2015 May 8;290(19):12313-31. Epub 2015 Mar 24. PMID: 25805501

Aquila A, Barty A, Bostedt C, Boutet S, Carini G, dePonte D, Drell P, Doniach S, Downing KH, Earnest T, Elmlund H, Elser V, Guhr M, Hajdu J, Hastings J, Hau-Riege SP, Huang Z, Lattman EE, Maia FRNC, Marchesini S, Ourmazd A, Pellegrini C, Santra R, Schlichting I, Schroer C, Spence JCH, Vartanyants IA, Wakatsuki S, Weis WI, Williams GJ. The linac coherent light source single particle imaging road map. Struct Dyn. 2015 Apr 21;2(4):041701. eCollection 2015 Jul. PMID: 26798801

Bauer WJ, Luthra A, Zhu G, Radolf JD, Malkowski MG, Caimano MJ. Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor: a system for sensing small molecules associated with tick feeding. J Struct Biol. 2015 Oct;192(1):48-58. Epub 2015 Aug 28. PMID: 26321039

Branchini BR, Behney CE, Southworth TL, Fontaine DM, Gulick AM, Vinyard DJ, Brudvig GW. Experimental support for a single electron-transfer oxidation mechanism in firefly bioluminescence. J Am Chem Soc. 2015 Jun 24;137(24):7592-5. Epub 2015 Jun 12. PMID: 26057379

Cody V, Pace J, Namjoshi OA, Gangjee A. Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr F Struct Biol Commun. 2015 Jun 1;71(Pt 6):799-803. Epub 2015 May 27. PMID: 26057816

Grant TD, Luft JR, Carter LG, Matsui T, Weiss TM, Martel A, Snell EH. The accurate assessment of small-angle X-ray scattering data. Acta Crystallogr D Biol Crystallogr. 2015 Jan 1;71(Pt 1):45-56. Epub 2015 Jan 1. PMID: 25615859

Gruner SM, Lattman EE. Biostructural science inspired by next-generation X-ray sources. Annu Rev Biophys. 2015 Jun 22;44:33-51. Epub 2015 Feb 26. PMID: 25747590

Kholodar SA, Allen CL, Gulick AM, Murkin AS. The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces. J Am Chem Soc. 2015 Feb 25;137(7):2748-56. Epub 2015 Feb 10. PMID: 25642788

Luft JR, Wolfley JR, Franks EC, Lauricella AM, Gualtieri EJ, Snell EH, Xiao R, Everett JK, Montelione GT. The detection and subsequent volume optimization of biological nanocrystals. Struct Dyn. 2015 May 15;2(4):041710. eCollection 2015 Jul. PMID: 26798809

Mitchell CA, Tucker AC, Escalante-Semerena JC, Gulick AM. The structure of S. lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain. Proteins. 2015 Mar;83(3):575-81. Epub 2015 Jan 5. PMID: 25488501

Monteiro DC, Patel V, Bartlett CP, Nozaki S, Grant TD, Gowdy JA, Thompson GS, Kalverda AP, Snell EH, Niki H, Pearson AR, Webb ME. The structure of the PanD/PanZ protein complex reveals negative feedback regulation of pantothenate biosynthesis by coenzyme A. Chem Biol. 2015 Apr 23;22(4):492-503. PMID: 25910242

Orlando BJ, Borbat PP, Georgieva ER, Freed JH, Malkowski MG. Pulsed dipolar spectroscopy reveals that tyrosyl radicals are generated in both monomers of the cyclooxygenase-2 dimer. Biochemistry. 2015 Dec 22;54(50):7309-12. Epub 2015 Dec 7. PMID: 26636181

Orlando BJ, Lucido MJ, Malkowski MG. The structure of ibuprofen bound to cyclooxygenase-2. J Struct Biol. 2015 Jan;189(1):62-6. Epub 2014 Nov 25. PMID: 25463020

Otsuka T, Kirkham C, Brauer A, Koszelak-Rosenblum M, Malkowski MG, Murphy TF. The vaccine candidate, substrate binding protein SBP2, plays a key role in arginine uptake, which is required for growth of Moraxella catarrhalis. Infect Immun. 2015 Nov 23. [Epub ahead of print]. PMID: 26597985

Patel HJ, Patel PD, Ochiana SO, Yan P, Sun W, Patel MR, Shah SK, Tramentozzi E, Brooks J, Bolaender A, Shrestha L, Stephani R, Finotti P, Leifer C, Li Z, Gewirth DT, Taldone T, Chiosis G. Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum hsp90 paralog grp94. J Med Chem. 2015 May 14;58(9):3922-43. Epub 2015 Apr 22. PMID: 25901531

Sutton KA, Breen J, MacDonald U, Beanan JM, Olson R, Russo TA, Schultz LW, Umland TC. Structure of shikimate kinase, an in vivo essential metabolic enzyme in the nosocomial pathogen Acinetobacter baumannii, in complex with shikimate. Acta Crystallogr D Biol Crystallogr. 2015 Aug 1;71(Pt 8):1736-44. Epub 2015 Jul 31. PMID: 26249354

Zhu G, Koszelak-Rosenblum M, Connelly SM, Dumont ME, Malkowski MG. The crystal structure of an integral membrane fatty acid α-hydroxylase. J Biol Chem. 2015 Dec 11;290(50):29820-33. Epub 2015 Oct 28. PMID: 26515067

Zhu J, Lippa GM, Gulick AM, Tipton PA. Examining reaction specificity in PvcB, a source of diversity in isonitrile-containing natural products. Biochemistry. 2015 Apr 28;54(16):2659-69. Epub 2015 Apr 20. PMID: 25866990


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