Insight into the complete substrate-binding pocket of ThiT by chemical and genetic mutations

scientific article published on 31 March 2017

Insight into the complete substrate-binding pocket of ThiT by chemical and genetic mutations is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1039/C7MD00079K
P932PMC publication ID6072235
P698PubMed publication ID30108823

P50authorLeticia MonjasQ47726742
Siewert J MarrinkQ50926657
Ignacio FaustinoQ56420377
P2093author name stringAisyah
D J Slotboom
T Ritschel
M M Bakker
A K H Hirsch
E van Olst
F Reeßing
L J Y M Swier
R C Oudshoorn
T Primke
P2860cites workInhibition of thiamin diphosphate dependent enzymes by 3-deazathiamin diphosphateQ44929790
Synthesis and biological evaluation of pyrophosphate mimics of thiamine pyrophosphate based on a triazole scaffold.Q46198604
Structural and mechanistic insights into prokaryotic energy-coupling factor transportersQ46956340
Pharmacophore fingerprint-based approach to binding site subpocket similarity and its application to bioisostere replacementQ47343377
Substrate-induced conformational changes in the S-component ThiT from an energy coupling factor transporter.Q51058316
MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.Q52340891
High-throughput cloning and expression in recalcitrant bacteria.Q54437626
Towards an Integrated Description of Hydrogen Bonding and Dehydration: Decreasing False Positives in Virtual Screening with the HYDE Scoring FunctionQ57009165
Selenomethionine incorporation in proteins expressed inLactococcus lactisQ27655111
The structural basis of modularity in ECF-type ABC transportersQ27670564
Structure-based design of potent small-molecule binders to the S-component of the ECF transporter for thiamineQ27697979
Comparative and functional genomic analysis of prokaryotic nickel and cobalt uptake transporters: evidence for a novel group of ATP-binding cassette transportersQ28563578
Development and testing of a general amber force fieldQ29547642
Automatic atom type and bond type perception in molecular mechanical calculationsQ29616744
Lipid14: The Amber Lipid Force Field.Q30362297
A novel class of modular transporters for vitamins in prokaryotes.Q34860011
Functional mining of transporters using synthetic selections.Q36150815
CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranesQ37263413
The structural and biochemical foundations of thiamin biosynthesisQ37434557
Canonical and ECF-type ATP-binding cassette importers in prokaryotes: diversity in modular organization and cellular functions.Q37760254
Diversity of membrane transport proteins for vitamins in bacteria and archaeaQ38212405
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring functionQ39671594
Structural insight in the toppling mechanism of an energy-coupling factor transporterQ39870336
Biochemical characterization of ThiT from Lactococcus lactis: a thiamin transporter with picomolar substrate binding affinityQ43135457
P433issue5
P407language of work or nameEnglishQ1860
P921main subjectbinding pocketQ61659196
P304page(s)1121-1130
P577publication date2017-03-31
P1433published inMedChemCommQ3303881
P1476titleInsight into the complete substrate-binding pocket of ThiT by chemical and genetic mutations
P478volume8

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cites work (P2860)
Q47726592Dynamic Combinatorial Chemistry to Identify Binders of ThiT, an S-Component of the Energy-Coupling Factor Transporter for Thiamine
Q58583416Insight into novel clinical mutants of RpsA-S324F, E325K, and G341R of associated with pyrazinamide resistance
Q64262145Structural and free energy landscape of novel mutations in ribosomal protein S1 (rpsA) associated with pyrazinamide resistance

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