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Structural and biochemical characterization of 20β-hydroxysteroid dehydrogenase from Bifidobacterium adolescentis strain L2-32.

Doden HL, Pollet RM, Mythen SM, Wawrzak Z, Devendran S, Cann I, Koropatkin NM, Ridlon JM.

J Biol Chem. 2019 Aug 9;294(32):12040-12053. doi: 10.1074/jbc.RA119.009390. Epub 2019 Jun 17.


Structural basis of Toxoplasma gondii perforin-like protein 1 membrane interaction and activity during egress.

Guerra AJ, Zhang O, Bahr CME, Huynh MH, DelProposto J, Brown WC, Wawrzak Z, Koropatkin NM, Carruthers VB.

PLoS Pathog. 2018 Dec 4;14(12):e1007476. doi: 10.1371/journal.ppat.1007476. eCollection 2018 Dec.


Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.

Hargrove TY, Wawrzak Z, Fisher PM, Child SA, Nes WD, Guengerich FP, Waterman MR, Lepesheva GI.

J Biol Chem. 2018 Dec 14;293(50):19344-19353. doi: 10.1074/jbc.RA118.005850. Epub 2018 Oct 16.


Sterol 14α-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.

Friggeri L, Hargrove TY, Wawrzak Z, Blobaum AL, Rachakonda G, Lindsley CW, Villalta F, Nes WD, Botta M, Guengerich FP, Lepesheva GI.

J Med Chem. 2018 Jul 12;61(13):5679-5691. doi: 10.1021/acs.jmedchem.8b00641. Epub 2018 Jun 25.


Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.

Stogios PJ, Cox G, Zubyk HL, Evdokimova E, Wawrzak Z, Wright GD, Savchenko A.

ACS Chem Biol. 2018 May 18;13(5):1322-1332. doi: 10.1021/acschembio.8b00116. Epub 2018 Apr 19.


Inherent steroid 17α,20-lyase activity in defunct cytochrome P450 17A enzymes.

Gonzalez E, Johnson KM, Pallan PS, Phan TTN, Zhang W, Lei L, Wawrzak Z, Yoshimoto FK, Egli M, Guengerich FP.

J Biol Chem. 2018 Jan 12;293(2):541-556. doi: 10.1074/jbc.RA117.000504. Epub 2017 Dec 6.


Novel carbohydrate binding modules in the surface anchored α-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut.

Cockburn DW, Suh C, Medina KP, Duvall RM, Wawrzak Z, Henrissat B, Koropatkin NM.

Mol Microbiol. 2018 Jan;107(2):249-264. doi: 10.1111/mmi.13881. Epub 2017 Dec 1.


Biochemical and Structural Analyses of Two Cryptic Esterases in Bacteroides intestinalis and their Synergistic Activities with Cognate Xylanases.

Wefers D, Cavalcante JJV, Schendel RR, Deveryshetty J, Wang K, Wawrzak Z, Mackie RI, Koropatkin NM, Cann I.

J Mol Biol. 2017 Aug 4;429(16):2509-2527. doi: 10.1016/j.jmb.2017.06.017. Epub 2017 Jun 29.


Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14α-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity.

Hargrove TY, Garvey EP, Hoekstra WJ, Yates CM, Wawrzak Z, Rachakonda G, Villalta F, Lepesheva GI.

Antimicrob Agents Chemother. 2017 Jun 27;61(7). pii: e00570-17. doi: 10.1128/AAC.00570-17. Print 2017 Jul.


Structural analyses of Candida albicans sterol 14α-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.

Hargrove TY, Friggeri L, Wawrzak Z, Qi A, Hoekstra WJ, Schotzinger RJ, York JD, Guengerich FP, Lepesheva GI.

J Biol Chem. 2017 Apr 21;292(16):6728-6743. doi: 10.1074/jbc.M117.778308. Epub 2017 Mar 3.


Retraction: Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus.

Ji Q, Chen PJ, Qin G, Deng X, Hao Z, Wawrzak Z, Yeo WS, Quang JW, Cho H, Luo GZ, Weng X, You Q, Luan CH, Yang X, Bae T, Yu K, Jiang H, He C.

Nat Commun. 2017 Feb 6;8:14331. doi: 10.1038/ncomms14331. No abstract available.


Crystal structure of nonphosphorylated receiver domain of the stress response regulator RcsB from Escherichia coli.

Filippova EV, Wawrzak Z, Ruan J, Pshenychnyi S, Schultz RM, Wolfe AJ, Anderson WF.

Protein Sci. 2016 Dec;25(12):2216-2224. doi: 10.1002/pro.3050. Epub 2016 Oct 24.


The structure of a doripenem-bound OXA-51 class D β-lactamase variant with enhanced carbapenemase activity.

June CM, Muckenthaler TJ, Schroder EC, Klamer ZL, Wawrzak Z, Powers RA, Szarecka A, Leonard DA.

Protein Sci. 2016 Dec;25(12):2152-2163. doi: 10.1002/pro.3040. Epub 2016 Sep 26.


Human sterol 14α-demethylase as a target for anticancer chemotherapy: towards structure-aided drug design.

Hargrove TY, Friggeri L, Wawrzak Z, Sivakumaran S, Yazlovitskaya EM, Hiebert SW, Guengerich FP, Waterman MR, Lepesheva GI.

J Lipid Res. 2016 Aug;57(8):1552-63. doi: 10.1194/jlr.M069229. Epub 2016 Jun 16.


Molecular Dissection of Xyloglucan Recognition in a Prominent Human Gut Symbiont.

Tauzin AS, Kwiatkowski KJ, Orlovsky NI, Smith CJ, Creagh AL, Haynes CA, Wawrzak Z, Brumer H, Koropatkin NM.

MBio. 2016 Apr 26;7(2):e02134-15. doi: 10.1128/mBio.02134-15.


Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.

Filippova EV, Kieser KJ, Luan CH, Wawrzak Z, Kiryukhina O, Rubin EJ, Anderson WF.

FEBS J. 2016 Jun;283(12):2206-18. doi: 10.1111/febs.13738. Epub 2016 May 25.


Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus.

Ji Q, Chen PJ, Qin G, Deng X, Hao Z, Wawrzak Z, Yeo WS, Quang JW, Cho H, Luo GZ, Weng X, You Q, Luan CH, Yang X, Bae T, Yu K, Jiang H, He C.

Nat Commun. 2016 Mar 18;7:11000. doi: 10.1038/ncomms11000. Retraction in: Nat Commun. 2017 Feb 06;8:14331.


Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.

Bensing BA, Loukachevitch LV, McCulloch KM, Yu H, Vann KR, Wawrzak Z, Anderson S, Chen X, Sullam PM, Iverson TM.

J Biol Chem. 2016 Apr 1;291(14):7230-40. doi: 10.1074/jbc.M115.701425. Epub 2016 Feb 1.


Clinical Candidate VT-1161's Antiparasitic Effect In Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme CYP51 from Trypanosoma cruzi.

Hoekstra WJ, Hargrove TY, Wawrzak Z, da Gama Jaen Batista D, da Silva CF, Nefertiti AS, Rachakonda G, Schotzinger RJ, Villalta F, Soeiro Mde N, Lepesheva GI.

Antimicrob Agents Chemother. 2015 Dec 7;60(2):1058-66. doi: 10.1128/AAC.02287-15. Print 2016 Feb.


Structure-Functional Characterization of Cytochrome P450 Sterol 14α-Demethylase (CYP51B) from Aspergillus fumigatus and Molecular Basis for the Development of Antifungal Drugs.

Hargrove TY, Wawrzak Z, Lamb DC, Guengerich FP, Lepesheva GI.

J Biol Chem. 2015 Sep 25;290(39):23916-34. doi: 10.1074/jbc.M115.677310. Epub 2015 Aug 12.


X-ray Crystal Structure of Divalent Metal-Activated β-xylosidase, RS223BX.

Jordan DB, Braker JD, Wagschal K, Lee CC, Chan VJ, Dubrovska I, Anderson S, Wawrzak Z.

Appl Biochem Biotechnol. 2015 Oct;177(3):637-48. doi: 10.1007/s12010-015-1767-z. Epub 2015 Jul 23.


VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.

Lepesheva GI, Hargrove TY, Rachakonda G, Wawrzak Z, Pomel S, Cojean S, Nde PN, Nes WD, Locuson CW, Calcutt MW, Waterman MR, Daniels JS, Loiseau PM, Villalta F.

J Infect Dis. 2015 Nov 1;212(9):1439-48. doi: 10.1093/infdis/jiv228. Epub 2015 Apr 15.


Kinetic and structural mechanisms of (5'S)-8,5'-cyclo-2'-deoxyguanosine-induced dna replication stalling.

Xu W, Ouellette AM, Wawrzak Z, Shriver SJ, Anderson SM, Zhao L.

Biochemistry. 2015 Jan 27;54(3):639-51. doi: 10.1021/bi5014936. Epub 2015 Jan 13.


Structural and kinetic basis of steroid 17α,20-lyase activity in teleost fish cytochrome P450 17A1 and its absence in cytochrome P450 17A2.

Pallan PS, Nagy LD, Lei L, Gonzalez E, Kramlinger VM, Azumaya CM, Wawrzak Z, Waterman MR, Guengerich FP, Egli M.

J Biol Chem. 2015 Feb 6;290(6):3248-68. doi: 10.1074/jbc.M114.627265. Epub 2014 Dec 22.


Structural basis for rational design of inhibitors targeting Trypanosoma cruzi sterol 14α-demethylase: two regions of the enzyme molecule potentiate its inhibition.

Friggeri L, Hargrove TY, Rachakonda G, Williams AD, Wawrzak Z, Di Santo R, De Vita D, Waterman MR, Tortorella S, Villalta F, Lepesheva GI.

J Med Chem. 2014 Aug 14;57(15):6704-17. doi: 10.1021/jm500739f. Epub 2014 Jul 29.


Type III effector NleH2 from Escherichia coli O157:H7 str. Sakai features an atypical protein kinase domain.

Halavaty AS, Anderson SM, Wawrzak Z, Kudritska M, Skarina T, Anderson WF, Savchenko A.

Biochemistry. 2014 Apr 22;53(15):2433-5. doi: 10.1021/bi500016j. Epub 2014 Apr 10.


Complexes of Trypanosoma cruzi sterol 14α-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity.

Hargrove TY, Wawrzak Z, Alexander PW, Chaplin JH, Keenan M, Charman SA, Perez CJ, Waterman MR, Chatelain E, Lepesheva GI.

J Biol Chem. 2013 Nov 1;288(44):31602-15. doi: 10.1074/jbc.M113.497990. Epub 2013 Sep 18.


Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.

Kowal EA, Lad RR, Pallan PS, Dhummakupt E, Wawrzak Z, Egli M, Sturla SJ, Stone MP.

Nucleic Acids Res. 2013 Aug;41(15):7566-76. doi: 10.1093/nar/gkt488. Epub 2013 Jun 8.


Antitrypanosomal lead discovery: identification of a ligand-efficient inhibitor of Trypanosoma cruzi CYP51 and parasite growth.

Andriani G, Amata E, Beatty J, Clements Z, Coffey BJ, Courtemanche G, Devine W, Erath J, Juda CE, Wawrzak Z, Wood JT, Lepesheva GI, Rodriguez A, Pollastri MP.

J Med Chem. 2013 Mar 28;56(6):2556-67. doi: 10.1021/jm400012e. Epub 2013 Mar 13.


Structure and activity of the NAD(P)+-dependent succinate semialdehyde dehydrogenase YneI from Salmonella typhimurium.

Zheng H, Beliavsky A, Tchigvintsev A, Brunzelle JS, Brown G, Flick R, Evdokimova E, Wawrzak Z, Mahadevan R, Anderson WF, Savchenko A, Yakunin AF.

Proteins. 2013 Jun;81(6):1031-41. doi: 10.1002/prot.24227. Epub 2013 Apr 1.


Basis of miscoding of the DNA adduct N2,3-ethenoguanine by human Y-family DNA polymerases.

Zhao L, Pence MG, Christov PP, Wawrzak Z, Choi JY, Rizzo CJ, Egli M, Guengerich FP.

J Biol Chem. 2012 Oct 12;287(42):35516-26. doi: 10.1074/jbc.M112.403253. Epub 2012 Aug 21.


Crystal structures of putative phosphoglycerate kinases from B. anthracis and C. jejuni.

Zheng H, Filippova EV, Tkaczuk KL, Dworzynski P, Chruszcz M, Porebski PJ, Wawrzak Z, Onopriyenko O, Kudritska M, Grimshaw S, Savchenko A, Anderson WF, Minor W.

J Struct Funct Genomics. 2012 Mar;13(1):15-26. doi: 10.1007/s10969-012-9131-9. Epub 2012 Mar 10.


Structural complex of sterol 14α-demethylase (CYP51) with 14α-methylenecyclopropyl-Delta7-24, 25-dihydrolanosterol.

Hargrove TY, Wawrzak Z, Liu J, Waterman MR, Nes WD, Lepesheva GI.

J Lipid Res. 2012 Feb;53(2):311-20. doi: 10.1194/jlr.M021865. Epub 2011 Nov 30.


Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.

Yedidi RS, Proteasa G, Martinez JL, Vickrey JF, Martin PD, Wawrzak Z, Liu Z, Kovari IA, Kovari LC.

Acta Crystallogr D Biol Crystallogr. 2011 Jun;67(Pt 6):524-32. doi: 10.1107/S0907444911011541. Epub 2011 May 17.


Substrate preferences and catalytic parameters determined by structural characteristics of sterol 14alpha-demethylase (CYP51) from Leishmania infantum.

Hargrove TY, Wawrzak Z, Liu J, Nes WD, Waterman MR, Lepesheva GI.

J Biol Chem. 2011 Jul 29;286(30):26838-48. doi: 10.1074/jbc.M111.237099. Epub 2011 May 31.


The first crystal structure of a gramicidin complex with sodium: high-resolution study of a nonstoichiometric gramicidin D-NaI complex.

Olczak A, Główka ML, Szczesio M, Bojarska J, Wawrzak Z, Duax WL.

Acta Crystallogr D Biol Crystallogr. 2010 Aug;66(Pt 8):874-80. doi: 10.1107/S0907444910019876. Epub 2010 Jul 9.


Structural insights into inhibition of sterol 14alpha-demethylase in the human pathogen Trypanosoma cruzi.

Lepesheva GI, Hargrove TY, Anderson S, Kleshchenko Y, Furtak V, Wawrzak Z, Villalta F, Waterman MR.

J Biol Chem. 2010 Aug 13;285(33):25582-90. doi: 10.1074/jbc.M110.133215. Epub 2010 Jun 8.


Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.

Lepesheva GI, Park HW, Hargrove TY, Vanhollebeke B, Wawrzak Z, Harp JM, Sundaramoorthy M, Nes WD, Pays E, Chaudhuri M, Villalta F, Waterman MR.

J Biol Chem. 2010 Jan 15;285(3):1773-80. doi: 10.1074/jbc.M109.067470. Epub 2009 Nov 18.


Structure and DNA binding of alkylation response protein AidB.

Bowles T, Metz AH, O'Quin J, Wawrzak Z, Eichman BF.

Proc Natl Acad Sci U S A. 2008 Oct 7;105(40):15299-304. doi: 10.1073/pnas.0806521105. Epub 2008 Sep 30.


Structure of the two-subsite beta-d-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane.

Brunzelle JS, Jordan DB, McCaslin DR, Olczak A, Wawrzak Z.

Arch Biochem Biophys. 2008 Jun 1;474(1):157-66. doi: 10.1016/ Epub 2008 Mar 14.


Crystal structure of tricyclo-DNA: an unusual compensatory change of two adjacent backbone torsion angles.

Pallan PS, Ittig D, Héroux A, Wawrzak Z, Leumann CJ, Egli M.

Chem Commun (Camb). 2008 Feb 21;(7):883-5. doi: 10.1039/b716390h. Epub 2007 Dec 21.


A convergent coordination chemistry-based approach to dissymmetric macrocyclic cofacial porphyrin complexes.

Oliveri CG, Heo J, Nguyen ST, Mirkin CA, Wawrzak Z.

Inorg Chem. 2007 Sep 17;46(19):7716-8. Epub 2007 Aug 14.


Nonstoichiometric complex of gramicidin D with KI at 0.80 A resolution.

Olczak A, Główka ML, Szczesio M, Bojarska J, Duax WL, Burkhart BM, Wawrzak Z.

Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):319-27. Epub 2007 Feb 21.


Supramolecular allosteric cofacial porphyrin complexes.

Oliveri CG, Gianneschi NC, Nguyen ST, Mirkin CA, Stern CL, Wawrzak Z, Pink M.

J Am Chem Soc. 2006 Dec 20;128(50):16286-96.


"Wide-open" 1.3 A structure of a multidrug-resistant HIV-1 protease as a drug target.

Martin P, Vickrey JF, Proteasa G, Jimenez YL, Wawrzak Z, Winters MA, Merigan TC, Kovari LC.

Structure. 2005 Dec;13(12):1887-95.


Crystal structure of a luteoviral RNA pseudoknot and model for a minimal ribosomal frameshifting motif.

Pallan PS, Marshall WS, Harp J, Jewett FC 3rd, Wawrzak Z, Brown BA 2nd, Rich A, Egli M.

Biochemistry. 2005 Aug 30;44(34):11315-22.


Structure of gramicidin D-RbCl complex at atomic resolution from low-temperature synchrotron data: interactions of double-stranded gramicidin channel contents and cations with channel wall.

Główka ML, Olczak A, Bojarska J, Szczesio M, Duax WL, Burkhart BM, Pangborn WA, Langs DA, Wawrzak Z.

Acta Crystallogr D Biol Crystallogr. 2005 Apr;61(Pt 4):433-41. Epub 2005 Mar 24.


Crystallization and preliminary crystallographic analysis of endonuclease VIII in its uncomplexed form.

Golan G, Zharkov DO, Fernandes AS, Zaika E, Kycia JH, Wawrzak Z, Grollman AP, Shoham G.

Acta Crystallogr D Biol Crystallogr. 2004 Aug;60(Pt 8):1476-80. Epub 2004 Jul 21.


Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.

Logsdon BC, Vickrey JF, Martin P, Proteasa G, Koepke JI, Terlecky SR, Wawrzak Z, Winters MA, Merigan TC, Kovari LC.

J Virol. 2004 Mar;78(6):3123-32.

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