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Oksana O. Gerlits - Publications

Affiliations: 
2005 State University of New York, Buffalo, Buffalo, NY, United States 
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39 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Drago VN, Campos C, Hooper M, Collins A, Gerlits O, Weiss KL, Blakeley MP, Phillips RS, Kovalevsky A. Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography. Communications Chemistry. 6: 162. PMID 37532884 DOI: 10.1038/s42004-023-00964-9  0.623
2022 Gerlits O, Fajer M, Cheng X, Blumenthal DK, Radić Z, Kovalevsky A. Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure (London, England : 1993). 30: 1538-1549.e3. PMID 36265484 DOI: 10.1016/j.str.2022.09.006  0.582
2022 Drago VN, Dajnowicz S, Parks JM, Blakeley MP, Keen DA, Coquelle N, Weiss KL, Gerlits O, Kovalevsky A, Mueser TC. An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chemical Science. 13: 10057-10065. PMID 36128223 DOI: 10.1039/d2sc02285k  0.599
2022 Kneller DW, Gerlits O, Daemen LL, Pavlova A, Gumbart JC, Cheng Y, Kovalevsky A. Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor. Physical Chemistry Chemical Physics : Pccp. 24: 3586-3597. PMID 35089990 DOI: 10.1039/d1cp05487b  0.522
2021 Gerlits O, Blakeley MP, Keen DA, Radić Z, Kovalevsky A. Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure. Current Research in Structural Biology. 3: 206-215. PMID 34541552 DOI: 10.1016/j.crstbi.2021.08.003  0.574
2021 Blumenthal DK, Cheng X, Fajer M, Ho KY, Rohrer J, Gerlits O, Taylor P, Juneja P, Kovalevsky A, Radić Z. Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects. The Journal of Biological Chemistry. 101007. PMID 34324828 DOI: 10.1016/j.jbc.2021.101007  0.597
2020 Dajnowicz S, Cheng Y, Daemen LL, Weiss KL, Gerlits O, Mueser TC, Kovalevsky A. Substrate Binding Stiffens Aspartate Aminotransferase by Altering the Enzyme Picosecond Vibrational Dynamics. Acs Omega. 5: 18787-18797. PMID 32775880 DOI: 10.1021/acsomega.0c01900  0.561
2020 Gorecki L, Gerlits O, Kong X, Cheng X, Blumenthal DK, Taylor P, Ballatore C, Kovalevsky A, Radić Z. Correction: Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. The Journal of Biological Chemistry. 295: 6784. PMID 32385098 DOI: 10.1074/jbc.AAC120.013785  0.481
2020 Gerlits O, Weiss KL, Blakeley MP, Veglia G, Taylor SS, Kovalevsky A. Protein kinase A in the neutron beam: Insights for catalysis from directly observing protons. Methods in Enzymology. 634: 311-331. PMID 32093838 DOI: 10.1016/Bs.Mie.2019.12.003  0.616
2020 Kovalevsky A, Gerlits O, Beltran K, Weiss KL, Keen DA, Blakeley MP, Louis JM, Weber IT. Proton transfer and drug binding details revealed in neutron diffraction studies of wild-type and drug resistant HIV-1 protease. Methods in Enzymology. 634: 257-279. PMID 32093836 DOI: 10.1016/Bs.Mie.2019.12.002  0.609
2020 Gorecki L, Gerlits O, Kong X, Cheng X, Blumenthal DK, Taylor P, Ballatore C, Kovalevsky A, Radić Z. Rational design, synthesis and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. The Journal of Biological Chemistry. PMID 32019865 DOI: 10.1074/jbc.RA119.012400  0.591
2020 Gorecki L, Gerlits O, Kong X, Cheng X, Blumenthal DK, Taylor P, Ballatore C, Kovalevsky A, Radić Z. Rational design, synthesis and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. Journal of Biological Chemistry. 295: 6784-6784. DOI: 10.2210/Pdb6U3P/Pdb  0.626
2020 Radic Z, Gorecki L, Gerlits O, Kong X, Cheng X, Blumenthal D, Taylor P, Ballatore C, Kovalevsky A. Rational design, synthesis and evaluation of “smart”, uncharged bis‐oxime antidotes of OP inhibited human acetylcholinesterase The Faseb Journal. 34: 1-1. DOI: 10.1096/Fasebj.2020.34.S1.07475  0.521
2020 Phillips RS, Craig S, Kovalevsky AY, Gerlits OO, Weiss KL, Iorgu AI, Heyes DJ, Hay S. Pressure and temperature effects on formation of aminoacrylate intermediates of tyrosine phenol-lyase demonstrate reaction dynamics Acs Catalysis. 10: 1692-1703. DOI: 10.1021/Acscatal.9B03967  0.539
2019 Gerlits O, Ho KY, Cheng X, Blumenthal D, Taylor P, Kovalevsky A, Radić Z. A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chemico-Biological Interactions. PMID 31176713 DOI: 10.1016/J.Cbi.2019.06.011  0.609
2019 Gerlits O, Kong X, Cheng X, Wymore T, Blumenthal DK, Taylor P, Radić Z, Kovalevsky A. Productive reorientation of a bound oxime reactivator revealed in room-temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. The Journal of Biological Chemistry. PMID 31138650 DOI: 10.1074/jbc.RA119.008725  0.608
2019 Gerlits O, Weiss KL, Blakeley MP, Veglia G, Taylor SS, Kovalevsky A. Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex. Science Advances. 5: eaav0482. PMID 30906862 DOI: 10.1126/Sciadv.Aav0482  0.62
2019 Gerlits O, Kong X, Cheng X, Wymore T, Blumenthal DK, Taylor P, Radić Z, Kovalevsky A. Productive reorientation of a bound oxime reactivator revealed in room-temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. Journal of Biological Chemistry. 294: 10607-10618. DOI: 10.2210/Pdb6O66/Pdb  0.641
2018 Sood A, Gerlits OO, Ji Y, Bovin N, Coates L, Woods RJ. Defining the specificity of carbohydrate-protein interactions by quantifying functional group contributions. Journal of Chemical Information and Modeling. PMID 30086239 DOI: 10.1021/Acs.Jcim.8B00120  0.358
2018 Gerlits OO, Campbell JC, Blakeley MP, Kim C, Kovalevsky AY. Neutron crystallography detects differences in protein dynamics: Structure of PKG II cyclic nucleotide binding domain in complex with an activator. Biochemistry. PMID 29517905 DOI: 10.1021/Acs.Biochem.8B00010  0.639
2017 Dajnowicz S, Johnston RC, Parks JM, Blakeley MP, Keen DA, Weiss KL, Gerlits O, Kovalevsky A, Mueser TC. Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme. Nature Communications. 8: 955. PMID 29038582 DOI: 10.1038/S41467-017-01060-Y  0.622
2017 Gerlits OO, Coates L, Woods RJ, Kovalevsky AY. Mannobiose binding induces changes in hydrogen bonding and protonation states of acidic residues in concanavalin A as revealed by neutron crystallography. Biochemistry. PMID 28846383 DOI: 10.1021/Acs.Biochem.7B00654  0.623
2017 Gerlits OO, Keen DA, Blakeley MP, Louis JM, Weber IT, Kovalevsky AY. Room temperature neutron crystallography of drug resistant HIV-1 protease uncovers limitations of X-ray structural analysis at 100K. Journal of Medicinal Chemistry. PMID 28195728 DOI: 10.1021/Acs.Jmedchem.6B01767  0.611
2017 Kovalevsky A, Gerlits O, Das A, Wymore T, Keen DA, Blakeley M, Louis JM, Weber I. Neutron crystallographic and scattering studies of function and inhibition of HIV-1 protease Acta Crystallographica Section a Foundations and Advances. 73: a36-a36. DOI: 10.1107/S0108767317099640  0.525
2016 Gerlits O, Wymore T, Das A, Shen CH, Parks JM, Smith JC, Weiss KL, Keen DA, Blakeley MP, Louis JM, Langan P, Weber IT, Kovalevsky A. Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site. Angewandte Chemie (International Ed. in English). PMID 26958828 DOI: 10.1002/Anie.201509989  0.598
2015 Das A, Gerlits O, Parks JM, Langan P, Kovalevsky A, Heller WT. Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure (London, England : 1993). PMID 26585512 DOI: 10.1016/J.Str.2015.10.005  0.63
2015 Gerlits O, Tian J, Das A, Langan P, Heller WT, Kovalevsky A. Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. The Journal of Biological Chemistry. 290: 15538-48. PMID 25925954 DOI: 10.1074/Jbc.M115.643213  0.632
2015 Ng S, Lin E, Kitov PI, Tjhung KF, Gerlits OO, Deng L, Kasper B, Sood A, Paschal BM, Zhang P, Ling CC, Klassen JS, Noren CJ, Mahal LK, Woods RJ, et al. Genetically encoded fragment-based discovery of glycopeptide ligands for carbohydrate-binding proteins. Journal of the American Chemical Society. 137: 5248-51. PMID 25860443 DOI: 10.1021/Ja511237N  0.358
2014 Huang GY, Gerlits OO, Blakeley MP, Sankaran B, Kovalevsky AY, Kim C. Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: insights for cGMP-dependent protein kinase agonist design. Biochemistry. 53: 6725-7. PMID 25271401 DOI: 10.1021/Bi501012V  0.622
2014 Gerlits O, Das A, Keshwani MM, Taylor S, Waltman MJ, Langan P, Heller WT, Kovalevsky A. Metal-free cAMP-dependent protein kinase can catalyze phosphoryl transfer. Biochemistry. 53: 3179-86. PMID 24786636 DOI: 10.1021/Bi5000965  0.614
2014 Abdur R, Gerlits OO, Gan J, Jiang J, Salon J, Kovalevsky AY, Chumanevich AA, Weber IT, Huang Z. Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides. Acta Crystallographica. Section D, Biological Crystallography. 70: 354-61. PMID 24531469 DOI: 10.1107/S1399004713027922  0.592
2014 Gerlits O, Das A, Tian J, Keshwani M, Taylor S, Waltman MJ, Langan P, Heller W, Kovalevsky A. Insights into the phosphoryl transfer catalyzed by cAMP-dependent protein kinase Acta Crystallographica Section a Foundations and Advances. 70: C449-C449. DOI: 10.1107/S2053273314095503  0.639
2013 Gerlits O, Waltman MJ, Taylor S, Langan P, Kovalevsky A. Insights into the phosphoryl transfer catalyzed by cAMP-dependent protein kinase: An X-ray crystallographic study of complexes with various metals and peptide substrate SP20 Biochemistry. 52: 3721-3727. PMID 23672593 DOI: 10.1021/Bi400066A  0.646
2008 Salon J, Jiang J, Sheng J, Gerlits OO, Huang Z. Derivatization of DNAs with selenium at 6-position of guanine for function and crystal structure studies. Nucleic Acids Research. 36: 7009-18. PMID 18986998 DOI: 10.1093/Nar/Gkn843  0.346
2006 Pryadun RS, Gerlits OO, Atwood JD. Structural studies on platinum alkene complexes and precursors Journal of Coordination Chemistry. 59: 85-100. DOI: 10.1080/00958970500368267  0.312
2004 Gerlits O, Kovalevsky AY, Coppens P. Solid-state spectroscopic properties and the geometry of binuclear rhodium(I) diisocyanoalkane complexes. Dalton Transactions (Cambridge, England : 2003). 3955-62. PMID 15558120 DOI: 10.1039/B412942C  0.652
2004 Coppens P, Gerlits O, Vorontsov II, Kovalevsky AY, Chen YS, Graber T, Gembicky M, Novozhilova IV. A very large Rh-Rh bond shortening on excitation of the [Rh2(1,8-diisocyano-p-menthane)4]2+ ion by time-resolved synchrotron X-ray diffraction. Chemical Communications (Cambridge, England). 2144-5. PMID 15467843 DOI: 10.1039/B409463H  0.717
2002 Coppens P, Ma B, Gerlits O, Zhang Y, Kulshrestha P. Crystal engineering, solid state spectroscopy and time-resolved diffraction Crystengcomm. 4: 302-309. DOI: 10.1039/B203602A  0.646
2001 Gerlits OO, Coppens P. {4,4′-Bis[p-(diethylamino)-α-styryl]-2,2′-bipyridine}tricarbonylchlororhenium(I) Acta Crystallographica Section E Structure Reports Online. 57: m164-m166. DOI: 10.1107/S1600536801004573  0.405
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