Protein Structure Select Publications

2013
Vitale A, Thorne N, Lovell S, Battaile KP, Hu X, Shen M, D'Auria S, Auld DS. (2013) Physicochemical characterization of a thermostable alcohol dehydrogenase from pyrobaculum aerophilum. PloS one. 8(6):e63828. PMID: 23755111; PMCID: PMC3673990.

Chaudhury S, Battaile KP, Lovell S, Plano GV, De Guzman RN. (2013) Structure of the yersinia pestis tip protein lcrv refined to 1.65 a resolution. Acta crystallographica Section F, Structural biology and crystallization communications. 69(Pt 5):477-81. PMID: 23695558; PMCID: PMC3660882.

Park S, Li X, Kim HM, Singh CR, Tian G, Hoyt MA, Lovell S, Battaile KP, Zolkiewski M, Coffino P, Roelofs J, Cheng Y, Finley D. (2013) Reconfiguration of the proteasome during chaperone-mediated assembly. Nature. 497(7450):512-6. PMID: 23644457; PMCID: PMC3687086.

Kumar R, Lovell S, Matsumura H, Battaile KP, Moenne-Loccoz P, Rivera M. (2013) The hemophore hasa from yersinia pestis (hasayp) coordinates hemin with a single residue, tyr75, and with minimal conformational change. Biochemistry. 52(16):2705-7. PMID: 23578210.

2012
Pang XY, Cao J, Addington L, Lovell S, Battaile KP, Zhang N, Rao JL, Dennis EA, Moise AR. (2012) Structure/function relationships of adipose phospholipase a2 containing a cys-his-his catalytic triad. The Journal of biological chemistry. 287(42):35260-74. PMID: 22923616; PMCID: PMC3471684.

Thorne N, Shen M, Lea WA, Simeonov A, Lovell S, Auld DS, Inglese J. (2012) Firefly luciferase in chemical biology: A compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter. Chemistry & biology. 19(8):1060-72. PMID: 22921073; PMCID: PMC3449281.

Kim Y, Lovell S, Tiew KC, Mandadapu SR, Alliston KR, Battaile KP, Groutas WC, Chang KO. (2012) Broad-spectrum antivirals against 3c or 3c-like proteases of picornaviruses, noroviruses, and coronaviruses. Journal of virology. 86(21):11754-62. PMID: 22915796; PMCID: PMC3486288.

Rajapaksha M, Lovell S, Janowiak BE, Andra KK, Battaile KP, Bann JG. (2012) Ph effects on binding between the anthrax protective antigen and the host cellular receptor cmg2. Protein science : a publication of the Protein Society. 21(10):1467-80. PMID: 22855243; PMCID: PMC3526989.

Yao H, Wang Y, Lovell S, Kumar R, Ruvinsky AM, Battaile KP, Vakser IA, Rivera M. (2012) The structure of the bfrb-bfd complex reveals protein-protein interactions enabling iron release from bacterioferritin. J Am Chem Soc. 134(32):13470-81. PMID: 22812654; PMCID: PMC3428730.

Deckert K, Budiardjo SJ, Brunner LC, Lovell S, Karanicolas J. (2012) Designing allosteric control into enzymes by chemical rescue of structure. J Am Chem Soc. 134(24):10055-60. PMID: 22655749; PMCID: PMC3381609.

Park KT, Wu W, Lovell S, Lutkenhaus J. (2012) Mechanism of the asymmetric activation of the mind atpase by mine. Molecular microbiology. 85(2):271-81. PMID: 22651575; PMCID: PMC3376909.

An C, Hiromasa Y, Zhang X, Lovell S, Zolkiewski M, Tomich JM, Michel K. (2012) Biochemical characterization of anopheles gambiae srpn6, a malaria parasite invasion marker in mosquitoes. PloS one. 7(11):e48689. PMID: 23152794; PMCID: PMC3494705.

2011
Chatterjee S, Zhong D, Nordhues BA, Battaile KP, Lovell S, De Guzman RN. (2011) The crystal structures of the salmonella type iii secretion system tip protein sipd in complex with deoxycholate and chenodeoxycholate. Protein science : a publication of the Protein Society. 20(1):75-86. PMID: 21031487; PMCID: PMC3047063.

An C, Lovell S, Kanost MR, Battaile KP, Michel K. (2011) Crystal structure of native anopheles gambiae serpin-2, a negative regulator of melanization in mosquitoes. Proteins. 79(6):1999-2003. PMID: 21465556; PMCID: PMC3092802.

Hickey JM, Lovell S, Battaile KP, Hu L, Middaugh CR, Hefty PS. (2011) The atypical response regulator chxr has structural characteristics and dimer interface interactions that are unique within the ompr/phob subfamily. The Journal of biological chemistry. 286(37):32606-16. PMID: 21775428; PMCID: PMC3173177.

Park KT, Wu W, Battaile KP, Lovell S, Holyoak T, Lutkenhaus J. (2011) The min oscillator uses mind-dependent conformational changes in mine to spatially regulate cytokinesis. Cell. 146(3):396-407. PMID: 21816275; PMCID: PMC3155264.

Kemege KE, Hickey JM, Lovell S, Battaile KP, Zhang Y, Hefty PS. (2011) Ab initio structural modeling of and experimental validation for chlamydia trachomatis protein ct296 reveal structural similarity to fe(ii) 2-oxoglutarate-dependent enzymes. Journal of bacteriology. 193(23):6517-28. PMID: 21965559; PMCID: PMC3232896.

Yao H, Jepkorir G, Lovell S, Nama PV, Weeratunga S, Battaile KP, Rivera M. (2011) Two distinct ferritin-like molecules in pseudomonas aeruginosa: The product of the bfra gene is a bacterial ferritin (ftna) and not a bacterioferritin (bfr). Biochemistry. 50(23):5236-48. PMID: 21574546; PMCID: PMC3130351.

Cruz PG, Auld DS, Schultz PJ, Lovell S, Battaile KP, MacArthur R, Shen M, Tamayo-Castillo G, Inglese J, Sherman DH. (2011) Titration-based screening for evaluation of natural product extracts: Identification of an aspulvinone family of luciferase inhibitors. Chemistry & biology. 18(11):1442-52. PMID: 22118678; PMCID: PMC3225805.

2010
​Wimalasena, D.S., Janowiak, B.E., Lovell, S., Miyagi, M., Sun, J., Zhou, H., Hajduch, J., Poopu, C., Kirk, K.L., Battaile, K.P., Bann, J.G., Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation. Biochemistry (2010) 49(33):6973-83.

Deng, B., Parthasarathy, S., Wang, W., Gibney, B.R., Battaile, K.P., Lovell, S., Benson, D.R., Zhu, H., Study of the individual cytochrome b5 and cytochrome b5 reductase domains of Ncb5or reveals a unique heme pocket and a possible role of the CS domain. J. Biol. Chem. (2010) 285(39):30181-91.

Jepkorir, G., Rodríguez, J.C., Rui, H., Im, W., Lovell, S., Battaile, K.P., Alontaga, A.Y., Yukl, E.T., Moënne-Loccoz, P., Rivera, M., Structural, NMR spectroscopic, and computational investigation of hemin loading in the hemophore HasAp from Pseudomonas aeruginosa. J. Am. Chem. Soc. (2010) 132(28):9857-72.

Auld, D.S., Lovell, S., Thorne, N., Lea, W.A., Maloney, D.J., Shen, M., Rai, G., Battaile, K.P., Thomas, C.J., Simeonov, A., Hanzlik, R.P., Inglese, J., Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc. Natl. Acad. Sci. U S A (2010) 107(11):4878-83.

Weeratunga, S.K., Lovell, S., Yao, H., Battaile, K.P., Fischer, C.J., Gee, C.E., Rivera, M., Structural studies of bacterioferritin B from Pseudomonas aeruginosa suggest a gating mechanism for iron uptake via the ferroxidase center. Biochemistry (2010) 49(6):1160-75.

2009
Williams, A.S., Lovell, S., Anbanandam, A., El-Chami, R., Bann, J.G. Domain 4 of the anthrax protective antigen maintains structure and binding to the host receptor CMG2 at low pH. Protein Sci., (2009) 18: 2277-2286.

Weeratunga, S.K., Gee, C.E., Lovell, S., Zeng, Y., Woodin, C.L., Rivera, M. Binding of Pseudomonas aeruginosa apobacterioferritin-associated ferredoxin to bacterioferritin B promotes heme mediation of electron delivery and mobilization of core mineral iron. Biochemistry (2009) 48: 7420–7431.

2006-2008
Reed, T.M., Hirakawa, H., Mure, M., Scott, E.E., Limburg, J., Expression, purification, crystallization and preliminary X-ray studies of histamine dehydrogenase from Nocardioides simplex. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun. (2008) 64(9): 785-7.

DeVore, N.M., Smith, B.D., Urban, M.J., Scott, E.E., Key residues controlling phenacetin metabolism by human cytochrome P4502A enzymes. Drug Metab. Dispos. (2008) 36(12):2582-90.

Porubsky, P.R., Meneely, K.M., Scott, E.E., Structures of human cytochrome P-450 2E1. Insights into the binding of inhibitors and both small molecular weight and fatty acid substrates. J. Biol. Chem. (2008) 283(48): 33698-707.

Weijun Huang, Yasufumi Yamamoto, Yi Li, Dengfeng Dou, Kevin R. Alliston, R. P. Hanzlik and W. C. Groutas, "An X-ray Snapshot of the Mechanism of Inactivation of Human Neutrophil Elastase by 1,2,5-Thiazolidin-3-one 1,1-Dioxide Derivatives, J. Med. Chem. (2008) 51: 2003-2008.

Q. Li, R. P. Hanzlik, R. F. Weaver, and E. Schönbrunn, "The Molecular Mode of Action of a Covalently Inhibiting Peptidomimetic on the Human Calpain Protease Core." Biochemistry (2006) 45, 701-708

Huang M, Xie SX, Ma ZQ, Hanzlik RP, Ye QZ, "Metal mediated inhibition of methionine aminopeptidase by quinolinyl sulfonamides." Biochem. Biophys. Res. Commun. (2006) 339: 506-513 .

Xie SX, Huang WJ, Ma ZQ, Huang M, Hanzlik RP, Ye QZ, "Structural analysis of metalloform-selective inhibition of methionine aminopeptidase." Acta Cryst. (2006) D62, 425-432.

Ye QZ, Xie SX, Ma ZQ, Huang M, Hanzlik RP, "Structural basis of catalysis by monometalated methionine aminopeptidase." Proc. Natl. Acad. Sci. U. S. A. (2006) 103: 9470-9475.


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Ability to set up 24 NMR experiments at one time and eliminate periodic user intervention
Screen up to 100,000 compounds in two days for endpoint assays
Next-generation genome sequencing
Near-infrared and bioluminescence imaging instrumentation to track gene of interest and/or tumor growth
Expertise in the design and stability of various pharmaceutical dosage forms
More than 40 computational chemistry software programs and databases
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