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NMR processing:
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NMR assignment:
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PINE
Side-chains:
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UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
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UNIO ATNOS-Candid
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Fragment-based:
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Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
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Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
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Secondary structure from chemical shifts:
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MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
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Interactions from chemical shifts:
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Chemical shifts re-referencing:
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LACS
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Chemical shifts:
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SAVES2 or SAVES4
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Verify_3D
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V-NMR
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Methyl S2
B-factor
Molecular dynamics:
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From structure:
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Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
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Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
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Old 05-18-2018, 05:21 PM
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Default An NMR biochemical assay for oxidosqualene cyclase: evaluation of inhibitor activities on Trypanosoma cruzi and human enzymes.

An NMR biochemical assay for oxidosqualene cyclase: evaluation of inhibitor activities on Trypanosoma cruzi and human enzymes.

Related Articles An NMR biochemical assay for oxidosqualene cyclase: evaluation of inhibitor activities on Trypanosoma cruzi and human enzymes.

J Med Chem. 2018 May 17;:

Authors: Tani O, Akutsu Y, Ito S, Suzuki T, Tateishi Y, Yamaguchi T, Niimi T, Namatame I, Chiba Y, Sakashita H, Kubota T, Yanagi T, Mizukami S, Hirayama K, Furukawa K, Yamasaki K

Abstract
Oxidosqualene cyclase (OSC), a membrane-associated protein, is a key enzyme of sterol biosynthesis. Here we report a novel assay for OSC, involving reaction in aqueous solution, NMR quantification in organic solvent, and factor analysis of spectra. We evaluated one known and three novel inhibitors on OSC of Trypanosoma cruzi, a parasite causative of Chagas disease, and compared with their effects on human OSC for selectivity. Among them, one novel inhibitor showed a significant parasiticidal activity.


PMID: 29771525 [PubMed - as supplied by publisher]



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