Research

Yashavantha L. Vishweshwaraiah, Brianna Hnath, Brendan Rackley, Jian Wang, Abhinay Gontu, Morgan Chandler, Kirill A. Afonin, Suresh V Kuchipudi, Neil Christensen, Neela H. Yennawar, Nikolay V. Dokholyan.(2022), Adaptation-proof SARS-CoV-2 vaccine design. bioRxiv. May 28 https://doi.org/10.1101/2022.05.17.492310

Brianna Hnath, Nikolay V.Dokholyan, (2022) Toxic SOD1 trimers are off-pathway in the formation of amyloid-like fibrils in ALS. Biophysical Journal. Volume 121, Issue 11, 7 June, Pages 2084-2095. 

Yennawar HP, Sigmon A. (2022) Crystal structure of racemic (R/S,E)-2-(4-hy-droxy-phen-yl)-4-(2-phenyl-hydrazin-1-yl-idene)chromane-5,7-diol ethanol monosolvate. Acta Crystallogr E Crystallogr Commun. 2022 Mar 1;78(Pt 4):346-348. doi: 10.1107/S2056989022002079. 

Xu Y, Zu R, Yennawar NH, Gopalan V, Hickey RJ.(2021) Cocrystalline Polymer Films Exhibiting Second-Order Nonlinear Optical Properties. ACS Macro Lett. 2021 Oct 19;10(10):1216-1222. doi: 10.1021/acsmacrolett.1c00345. Epub 2021 Sep 21.

Yennawar HP, Medica JJ, Silverberg LJ (2021) Synthesis and crystal structure of racemic (R*,R*)-2,2'-(1,4-phenyl-ene)bis-(3-phenyl-2,3,5,6-tetra-hydro-4H-1,3-thia-zin-4-one). Acta Crystallogr E Crystallogr Commun. 2021 Nov 9;77(Pt 12):1263-1266. doi: 10.1107/S2056989021011592. eCollection 2021 Dec 1.PMID: 34925894 

Silverberg LJ, Mal TK, Pacheco CN, Povelones ML, Malfara MF, Lagalante AF, Olsen MA, Yennawar HP, Sobhi HF, Baney KR, Bozeman RL, Eroh CS, Fleming MJ, Garcia TL, Gregory CL, Hahn JE, Hatter AM, Johns LL, Klinger TL, Li JJ, Menig AJ, Muench GC, Ramirez ME, Reilly J, Sacco N, Sheidy AM, Stoner MM, Thompson EN, Yazdani SF (2021)T3P-Promoted Synthesis of a Series of 2-Aryl-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-ones and Their Activity against the Kinetoplastid Parasite Trypanosoma brucei. MoleculesOct 9;26(20):6099. doi: 10.3390/molecules26206099.PMID: 34684680 

Esakova, OA, Grove, TL, Yennawar NH, Arcinas AJ, Almo SC and Squire J. Booker (2021), Structural basis for tRNA methylthiolation by the radical S-adenosylmethionine enzyme MiaB, Nature, accepted.

Chatterjee D, Wittmeyer K, Lee TF, Cui J, Yennawar NH, Yennawar HP, Meyers BC, Chopra S. (2021) Maize unstable factor for orange1 is essential for endosperm development and carbohydrate accumulation. Plant Physiol. Apr 26: kiab183. doi: 10.1093/plphys/kiab183.

Bansia H, Mahanta P, Yennawar NH, Ramakumar S. (2021) Small glycols discover cryptic pockets on proteins for fragment-based approaches. J Chem Inf Model., 61(3):1322-1333.

Kim SA, Zhu J, Yennawar N, Eek P, Tan S, (2020) Crystal structure of the LSD1/CoREST histone demethylase bound to its nucleosome substrate. Mol Cell. May 4: S1097-2765(20)30261-6. 

Dayna C. Patterson, Myrhh Perez Ruiz, Hyerin Yoon, Johnnie A. Walker, Jean-Paul Armache, Neela H. Yennawar* and Emily E. Weinert (2021), Differential ligand-selective control of opposing enzymatic activities within a bifunctional c-di-GMP metabolic protein, Proc. Natl. Acad. Sci., accepted. 

Yifan Xu, Rui Zu, Neela H. Yennawar, Venkatraman Gopalan, Robert J. Hickey (2021), Thermo-responsive second harmonic generation in co-crystalline polymer films, ACS Macro Letters submitted. 

Dayna C. Patterson, Yilin Liu, Sayan Das, Neela H. Yennawar, Jean-Paul Armache, James R. Kincaid, and Emily E. Weinert1, (2021), Heme edge residues modulate non-equivalent hemes with unusually high midpoint potentials within a bifunctional homo-dimeric sensor protein, J. Am. Chem. Soc., submitted. 

Jungjin Yoon, Yuchen Hou, Abbey Marie Knoepfel, Dong Yang, Tao Ye, Luyao Zheng, Neela Yennawar, Mohan Sanghadasa, Shashank Priya, Kai Wang (2021), Bio-inspired strategies for next-generation solar mobile power sources, The royal society of chemistry, accepted

Barber GD, George C, Hogg K, Johnstone ST, Pacheco CN, Yennawar HP, Van Der Sluys WG. (2020)  Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo-Mo Bond. ACS Omega. Feb 28;5(9):4668-4672. doi: 10.1021/acsomega.0c00083. PMID: 32175513; PMCID: PMC7066654.

Hoelzel CA, Hu H, Wolstenholme CH, Karim BA, Munson KT, Jung KH, Zhang H, Liu Y, Yennawar HP, Asbury JB, Li X, Zhang X. (2020) A General Strategy to Enhance Donor-Acceptor Molecules Using Solvent-Excluding Substituents. Angew Chem Int Ed Engl.2020 Mar 16;59(12):4785-4792. doi: 10.1002/anie.201915744. Epub Feb 3.PMID: 31922642. 

Yennawar HP, Thompson EN, Li J, Silverberg LJ. (2019) Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-ones. Acta Crystallogr E Crystallogr Commun. Oct 22;75(Pt11):1689-1693. doi: 10.1107/S2056989019013781. PMID: 31709091; PMCID:PMC6829726.

Leamy KA, Yamagami R, Yennawar NH, Bevilacqua PC. (2019) Single-nucleotide control of tRNA folding cooperativity under near-cellular conditions. Proc Natl Acad Sci U S A Nov 12;116(46):23075-23082. doi: 10.1073/pnas.1913418116. Epub 2019 Oct 30. PMID: 31666318; PMCID: PMC6859320. 

Yennawar HP, Hess AR, Allcock HR. (2019) Crystal structures of three hexakis-(fluoroar-yloxy)cyclo-triphosphazenes. Acta Crystallogr E Crystallogr Commun. Sep 27;75(Pt 10):1525-1530. doi: 10.1107/S2056989019012933. PMID: 31636987; PMCID: PMC6775729.

Yennawar HP, Peterson SD, Silverberg LJ. (2019) Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thia-zepan-4-ones. Acta Crystallogr E Crystallogr Commun. Jul 26;75(Pt 8):1270-1273. doi: 10.1107/S2056989019010429. PMID: 31417805; PMCID: PMC6690465. 

Esakova OA, Silakov A, Grove TL, Warui DM, Yennawar NH, Booker SJ.(2019) An Unexpected Species Determined by X-ray Crystallography that May Represent anIntermediate in the Reaction Catalyzed by Quinolinate Synthase. J Am Chem Soc.  Sep 11;141(36):14142-14151. doi: 10.1021/jacs.9b02513. Epub 2019 Aug 26. PMID: 31390192; PMCID: PMC7029380.

Van Buiten CB , Yennawar NH , Pacheco CN , Hatzakis E , Elias RJ.(2019) Physicochemical interactions with (-)-epigallocatechin-3-gallate drive structural modification of celiac-associated peptide α<sub>2</sub>-gliadin (57-89) at physiological conditions. Food Funct. May 22;10(5):2997-3007.doi: 10.1039/c9fo00553f. PMID: 31086895.

Yennawar HP, Tierney J, Cannon KC. (2019) Crystal structure of a 1:1 adduct of tri-phenyl-tin chloride with 3-cyclo-hexhyl-2-phenyl-1,3-thia-zolidin-4-one. Acta Crystallogr E Crystallogr Commun. Feb 8;75(Pt 3):338-341. doi: 10.1107/S2056989019001592. PMID: 30867944; PMCID: PMC6399697.

Rose HR, Maggiolo AO, McBride MJ, Palowitch GM, Pandelia ME, Davis KM, Yennawar NH, Boal AK. (2019) Structures of Class Id Ribonucleotide Reductase Catalytic Subunits Reveal a Minimal Architecture for Deoxynucleotide Biosynthesis. Biochemistry. Apr 9;58(14):1845-1860. Doi 10.1021/acs.biochem.8b01252 PMID: 30855138; PMCID: PMC6456427. 

Yennawar HP, Silverberg LJ, Cannon K, Gandla D, Kondaveeti SK, Zdilla MJ, Nuriye A. (2018) Crystal structures of two 1,3-thia-zolidin-4-one derivatives featuring sulfide and sulfone functional groups. Acta Crystallogr E Crystallogr Commun. Nov 6;74(Pt 12):1695-1699. doi: 10.1107/S2056989018015098. PMID: 30574358; PMCID: PMC6281102. 

Nuriye A, Yennawar H, Cannon K, Tierney (2018) J. Crystal structures of two thia-zolidinone derivatives bearing a tri-chloro-methyl substituent at the 2-position Acta Crystallogr E Crystallogr Commun. Sep 28;74(Pt 10):1509-1512. doi: 10.1107/S2056989018013257. PMID: 30319812; PMCID: PMC6176436. 

Yennawar HP, Moyer QJ, Silverberg LJ. (2018) Crystal structure of <i>meso</i>-3,3'-(1,4-phenyl-ene)bis-(2-phenyl-2,3,5,6-tetra-hydro-4<i>H</i>-1,3-thia-zin-4-one). Acta Crystallogr E Crystallogr Commun. Sep 28;74(Pt 10):1497-1499. doi: 10.1107/S2056989018013397. PMID: 30319809; PMCID: PMC6176446. 

McBrayer SK, Mayers JR, DiNatale GJ, Shi DD, Khanal J, Chakraborty AA, Sarosiek KA, Briggs KJ, Robbins AK, Sewastianik T, Shareef SJ, Olenchock BA, Parker SJ, Tateishi K, Spinelli JB, Islam M, Haigis MC, Looper RE, Ligon KL, Bernstein BE, Carrasco RD, Cahill DP, Asara JM, Metallo CM, Yennawar NH, Vander Heiden MG, Kaelin WG Jr. (2018) Transaminase Inhibition by 2-Hydroxyglutarate Impairs Glutamate Biosynthesis and Redox Homeostasis in Glioma. Cell. Sep 20;175(1):101-116.e25. doi: 10.1016/j.cell.2018.08.038. Epub 2018 Sep 13. PMID:30220459; PMCID: PMC6219629. 

Liu Y, Wolstenholme CH, Carter GC, Liu H, Hu H, Grainger LS, Miao K, Fares M, Hoelzel CA, Yennawar HP, Ning G, Du M, Bai L, Li X, Zhang X. (2018) Modulation of Fluorescent Protein Chromophores To Detect Protein Aggregation with Turn-On Fluorescence. J Am Chem Soc. Jun 20;140(24):7381-7384. doi: 10.1021/jacs.8b02176. Epub 2018 Jun 12. PMID: 29883112; PMCID: PMC6258209. 

Yennawar HP, Bradley HG, Perhonitch KC, Reppert HE, Silverberg LJ.(2018) Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitro-phenyl)-3-phenyl-2,3,5,6-tetra-hydro-4<i>H</i>-1,3-thia-zin-4-one; crystal structure of <i>rac</i>-2-(4-nitro-phen-yl)-3-phenyl-2,3,5,6-tetra-hydro-4<i>H</i>-1,3-thia-zin-4-one. Acta Crystallogr E Crystallogr Commun. Mar 6;74(Pt 4):454-457. doi: 10.1107/S2056989018003444. PMID: 29765744; PMCID: PMC5946966. 

Yennawar HP, Buchwalter MJ, Colburn BK, Silverberg LJ. (2018) Crystal structures of two 2,3-diaryl-2,3-di-hydro-4<i>H</i>-1,3-benzo-thia-zin-4-ones. Acta Crystallogr E Crystallogr Commun. Feb 20;74(Pt 3):363-366. doi: 10.1107/S2056989018002049. PMID: 29765724; PMCID: PMC5947804. 

Leamy KA, Yennawar NH, Bevilacqua PC.(2018) Molecular Mechanism for Folding Cooperativity of Functional RNAs in Living Organisms. Biochemistry. May 22;57(20):2994-3002. doi: 10.1021/acs.biochem.8b00345. Epub 2018 May 7. PMID: 29733204; PMCID: PMC6726375.

DiMarzio, M., B. Rusconi, N.H. Yennawar, M. Eppinger, A.D. Patterson, and E.G. Dudley. 2017. Identification of a mouse Lactobacillus johnsonii strain with deconjugase activity against the FXR antagonist T-β-MCA. PLOS ONE. 12(9). 

Leamy, K.A., N.H. Yennawar, and P.C. Bevilacqua. 2017. Cooperative RNA folding under cellular conditions arises from both tertiary structure stabilization and secondary structure destabilization. Biochemistry. 56(27): 3422-3433. 

Bingaman, J.L., S. Zhang, D.R. Stevens, N.H. Yennawar, S. Hammes-Schiffer, and P.C. Bevilacqua. 2017. The GlcN6P cofactor plays multiple catalytic roles in the glmS ribozyme. Nat. Chem. Biol.13(4): 439-445. 

Glisan, S.L., K.A. Grove, N.H. Yennawar, and J.D. Lambert. 2017. Inhibition of pancreatic lipase by black tea theaflavins: Comparative enzymology and in silico modeling studies. Food Chem. 216: 296-300. 

Esakova, O.A., A. Silakov, T.L. Grove, A.H. Saunders, M.I. McLaughlin, N.H. Yennawar, and S.J. Booker. 2016. Structure of quinolinate synthase from Pyrococcus horikoshii in the presence of its product, quinolinic acid. J. Am. Chem. Soc. 138(23): 7224-7. 

Yenugudhati, D., D. Prakash, A.K. Kumar, R.S. Kumar, N.H. Yennawar, H.P. Yennawar, and J.G. Ferry. 2016. Structural and biochemical characterizations of methanoredoxin from Methanosarcina acetivorans, a glutaredoxin-like enzyme with coenzyme M-dependent protein disulfide reductase activity. Biochemistry. 55(2): 313-21. 

Moustafa, I.M., D.W. Gohara, A. Uchida, N. Yennawar, and C.E. Cameron. 2015. Conformational ensemble of the poliovirus 3CD precursor observed by MD simulations and confirmed by SAXS: A strategy to expand the viral proteome? Viruses. 7(11): 5962-86. 

Moustafa, I.M., A. Uchida, Y. Wang, N. Yennawar, and C.E. Cameron. 2015. Structural models of mammalian mitochondrial transcription factor B2. Biochim. Biophys. Acta. 1849(8): 987-1002. 

Kumar, A.K., R.S. Kumar, N.H. Yennawar, H.P. Yennawar, and J.G. Ferry. 2015. Structural and biochemical characterization of a ferredoxin:thioredoxin reductase-like enzyme from Methanosarcina acetivorans. Biochemistry. 54(19): 3122-8.