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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