Detalhe da pesquisa
1.
Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J Biol Chem
; 299(7): 104886, 2023 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37271339
2.
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J Chem Inf Model
; 63(5): 1438-1453, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36808989
3.
Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects.
J Biol Chem
; 297(3): 101007, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34324828
4.
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J Chem Inf Model
; 62(1): 116-128, 2022 01 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34793155
5.
Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor.
Phys Chem Chem Phys
; 24(6): 3586-3597, 2022 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35089990
6.
Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J Biol Chem
; 295(50): 17365-17373, 2020 12 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33060199
7.
Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J Biol Chem
; 295(13): 4079-4092, 2020 03 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32019865
8.
Characterization and structural analysis of a thermophilic GH11 xylanase from compost metatranscriptome.
Appl Microbiol Biotechnol
; 105(20): 7757-7767, 2021 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-34553251
9.
Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J Biol Chem
; 294(27): 10607-10618, 2019 07 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31138650
10.
Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc Natl Acad Sci U S A
; 113(48): 13756-13761, 2016 11 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-27856757
11.
Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Biochemistry
; 57(12): 1833-1837, 2018 03 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-29517905
12.
Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J Biol Chem
; 292(14): 5970-5980, 2017 04 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28232482
13.
Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc Natl Acad Sci U S A
; 112(40): 12384-9, 2015 Oct 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-26392527
14.
Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc Natl Acad Sci U S A
; 112(18): 5673-8, 2015 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-25902526
15.
Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry
; 56(36): 4747-4750, 2017 09 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-28846383
16.
Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation.
Biochemistry
; 56(20): 2529-2532, 2017 05 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28481095
17.
Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc Natl Acad Sci U S A
; 111(51): 18225-30, 2014 Dec 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-25453083
18.
Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J Biol Chem
; 290(25): 15538-15548, 2015 Jun 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-25925954
19.
Correction: Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J Biol Chem
; 295(19): 6784, 2020 May 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32385098
20.
Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew Chem Int Ed Engl
; 55(16): 4924-7, 2016 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-26958828