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.
Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure.
Nucleic Acids Res
; 50(13): 7721-7738, 2022 07 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35819202
3.
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
4.
Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res
; 49(8): 4782-4792, 2021 05 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33872377
5.
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
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.
Toho-1 ß-lactamase: backbone chemical shift assignments and changes in dynamics upon binding with avibactam.
J Biomol NMR
; 75(8-9): 303-318, 2021 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-34218390
8.
Defining the Specificity of Carbohydrate-Protein Interactions by Quantifying Functional Group Contributions.
J Chem Inf Model
; 58(9): 1889-1901, 2018 09 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-30086239
9.
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
10.
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
11.
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
12.
Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A ß-Lactamase with a Monobactam Substrate.
Antimicrob Agents Chemother
; 61(1)2017 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27795378
13.
A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers.
Plant Physiol
; 170(1): 123-35, 2016 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-26556795
14.
Genetically encoded fragment-based discovery of glycopeptide ligands for carbohydrate-binding proteins.
J Am Chem Soc
; 137(16): 5248-51, 2015 Apr 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-25860443
15.
Neutron and X-ray crystal structures of a perdeuterated enzyme inhibitor complex reveal the catalytic proton network of the Toho-1 ß-lactamase for the acylation reaction.
J Biol Chem
; 288(7): 4715-22, 2013 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23255594
16.
X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr D Biol Crystallogr
; 70(Pt 1): 11-23, 2014 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-24419374
17.
Visualizing the active site oxyanion loop transition upon ensitrelvir binding and transient dimerization of SARS-CoV-2 main protease.
J Mol Biol
; : 168616, 2024 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38762033
18.
Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Res Sq
; 2024 Feb 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38405788
19.
Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
bioRxiv
; 2024 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38328249
20.
Heterologous expression, purification, crystallization and preliminary X-ray analysis of Trichoderma reesei xylanase II and four variants.
Acta Crystallogr Sect F Struct Biol Cryst Commun
; 69(Pt 3): 320-3, 2013 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-23519813