O. Gerlits

发表

Direct visualization of critical hydrogen atoms in a pyridoxal 5′-phosphate enzyme

Jerry M. Parks, S. Dajnowicz, J. Parks, 2017, Nature Communications.

Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex

Susan S. Taylor, G. Veglia, K. Weiss, 2019, Science Advances.

Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.

R. Woods, L. Coates, A. Kovalevsky, 2017, Biochemistry.

A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.

D. Blumenthal, P. Taylor, A. Kovalevsky, 2019, Chemico-biological interactions.

Correction: Rational design, synthesis, and evaluation of uncharged, “smart” bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.

D. Blumenthal, P. Taylor, Xiaotian Kong, 2020, The Journal of Biological Chemistry.

Rational design, synthesis, and evaluation of uncharged, “smart” bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase

D. Blumenthal, P. Taylor, Xiaotian Kong, 2020, The Journal of Biological Chemistry.

Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.

J. Louis, I. Weber, A. Kovalevsky, 2017, Journal of medicinal chemistry.

{4,4′-Bis[p-(diethylamino)-α-styryl]-2,2′-bipyridine}tricarbonylchlororhenium(I)

P. Coppens, O. Gerlits, 2001 .

Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.

James C. Campbell, A. Kovalevsky, M. Blakeley, 2018, Biochemistry.

An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction

Jerry M. Parks, S. Dajnowicz, J. Parks, 2022, Chemical science.

Solid-state spectroscopic properties and the geometry of binuclear rhodium(I) diisocyanoalkane complexes.

A. Kovalevsky, P. Coppens, O. Gerlits, 2004, Dalton transactions.

Copper(II) acetate promoted oxidative cyclization of arylsulfonyl-o-allylanilines.

T. B. Tan, O. Gerlits, S. Chemler, 2004, Organic letters.

Structural studies on platinum alkene complexes and precursors

J. Atwood, O. Gerlits, Ruslan S. Pryadun, 2006 .

Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides.

I. Weber, J. Gan, A. Chumanevich, 2014, Acta crystallographica. Section D, Biological crystallography.

Derivatization of DNAs with selenium at 6-position of guanine for function and crystal structure studies

Zhen Huang, Jozef Salon, Jia Sheng, 2008, Nucleic acids research.

Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.

Jerry M. Parks, P. Langan, J. Parks, 2015, Structure.

Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics

K. Weiss, A. Kovalevsky, R. Phillips, 2019, ACS Catalysis.

Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.

Jerry M. Parks, Jeremy C. Smith, J. Louis, 2016, Angewandte Chemie.

Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design

B. Sankaran, Choel Kim, G. Huang, 2014, Biochemistry.

Defining the Specificity of Carbohydrate-Protein Interactions by Quantifying Functional Group Contributions

Amika Sood, Oksana O Gerlits, Ye Ji, 2018, J. Chem. Inf. Model..

Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects

D. Blumenthal, P. Taylor, A. Kovalevsky, 2021, The Journal of biological chemistry.

Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.

A. Kovalevsky, Z. Radić, O. Gerlits, 2022, Structure.

Substrate Binding Stiffens Aspartate Aminotransferase by Altering the Enzyme Picosecond Vibrational Dynamics

L. Daemen, S. Dajnowicz, K. Weiss, 2020, ACS omega.

Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor.

L. Daemen, J. Gumbart, A. Kovalevsky, 2022, Physical Chemistry, Chemical Physics - PCCP.

Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure

A. Kovalevsky, D. Keen, Z. Radić, 2021, Current research in structural biology.

Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase

D. Blumenthal, P. Taylor, Xiaotian Kong, 2019, The Journal of Biological Chemistry.

Phosphoryl Transfer Reaction Snapshots in Crystals

P. Langan, A. Kovalevsky, Jianhui Tian, 2015, The Journal of Biological Chemistry.

Productive reorientation of a bound oxime reactivator revealed in room-temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.

D. Blumenthal, P. Taylor, Xiaotian Kong, 2019 .

Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer

Susan S. Taylor, P. Langan, A. Kovalevsky, 2014, Biochemistry.

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

Susan S. Taylor, P. Langan, A. Kovalevsky, 2013, Biochemistry.

Direct visualization of critical hydrogen atoms in a pyridoxal 5′-phosphate enzyme

S. Dajnowicz, J. Parks, K. Weiss, 2017, Nature Communications.

Nucleic acid crystallization and phase determination facilitated by selenium functionalization

J. Gan, Wen Zhang, Cen Chen, 2017 .

Protein kinase A in the neutron beam: Insights for catalysis from directly observing protons.

Susan S. Taylor, G. Veglia, K. Weiss, 2020, Methods in enzymology.

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.

Philip Coppens, Yu-Sheng Chen, Tim Graber, 2004, Chemical communications.

Genetically encoded fragment-based discovery of glycopeptide ligands for carbohydrate-binding proteins.

Amika Sood, Oksana O Gerlits, Leighton Coates, 2015, Journal of the American Chemical Society.

Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography

K. Weiss, A. Kovalevsky, M. Blakeley, 2023, Communications chemistry.

Proton transfer and drug binding details revealed in neutron diffraction studies of wild-type and drug resistant HIV-1 protease.

J. Louis, I. Weber, K. Weiss, 2020, Methods in enzymology.