Search Results - "Singh, Warispreet"
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Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution
Published in Nature communications (19-07-2019)“…Engineering artificial enzymes with high activity and catalytic mechanism different from naturally occurring enzymes is a challenge in protein design. For…”
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Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesis
Published in Nature communications (12-07-2021)“…Lipoproteins serve diverse functions in the bacterial cell and some are essential for survival. Some lipoproteins are adjuvants eliciting responses from the…”
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The complex structure of bile salt hydrolase from Lactobacillus salivarius reveals the structural basis of substrate specificity
Published in Scientific reports (27-08-2019)“…The gut bacterial bile salt hydrolase (BSH) plays a critical role in host lipid metabolism and energy harvest. Therefore, BSH is a promising microbiome target…”
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Impact of the T296S mutation in P450 GcoA for aryl-O-demethylation: a QM/MM study
Published in Frontiers in chemistry (2023)“…Lignin, a complex plant cell wall component, holds promise as a renewable aromatic carbon feedstock. p-Vanillin is a key product of lignin depolymerization and…”
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Effects of Mutations on Structure-Function Relationships of Matrix Metalloproteinase-1
Published in International journal of molecular sciences (14-10-2016)“…Matrix metalloproteinase-1 (MMP-1) is one of the most widely studied enzymes involved in collagen degradation. Mutations of specific residues in the MMP-1…”
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Remarkably Selective Binding, Behavior Modification, and Switchable Release of (Bipyridine)3Ru(II) vis-à-vis (Phenanthroline)3Ru(II) by Trimeric Cyclophanes in Water
Published in JACS Au (28-08-2023)“…A recurring dream of molecular recognition is to create receptors that distinguish between closely related targets with sufficient accuracy, especially in…”
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Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters
Published in Journal of the American Chemical Society (15-05-2019)“…Enzymatic stereodivergent synthesis to access all possible product stereoisomers bearing multiple stereocenters is relatively undeveloped, although enzymes are…”
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Thebaine is Selectively Demethylated by Thebaine 6‑O‑Demethylase and Codeine-3‑O‑demethylase at Distinct Binding Sites: A Computational Study
Published in Inorganic chemistry (19-07-2021)“…Two homologous 2-oxoglutarate-dependent (ODD) nonheme enzymes thebaine 6-O-demethylase (T6ODM) and codeine-3-O-demethylase (CODM), are involved in the morphine…”
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Reaction Mechanism of Histone Demethylation in αKG-dependent Non-Heme Iron Enzymes
Published in The journal of physical chemistry. B (19-09-2019)“…Histone demethylases (KDMs) catalyze histone lysine demethylation, an important epigenetic process that controls gene expression in eukaryotes, and represent…”
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Substrate Conformation Regulates Aromatic C–H Vs C–F Bond Activation in Heme-Dependent Tyrosine Hydroxylase
Published in Biochemistry (Easton) (16-05-2023)“…A recently discovered heme-dependent enzyme tyrosine hydroxylase (TyrH) offers a green approach for functionalizing the high-strength C–H and C–F bonds in…”
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Regio- and stereoselectivity in the CYP450 BM3 -catalyzed hydroxylation of complex terpenoids: a QM/MM study
Published in Physical chemistry chemical physics : PCCP (07-10-2020)“…The site-selective C-H oxidation of terpenoids by P450 attracts great attention because of their wide range of biological activities. However, the binding and…”
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Reaction Mechanism of Isopentenyl Phosphate Kinase: A QM/MM Study
Published in The journal of physical chemistry. B (14-12-2017)“…Isopentenyl phosphate kinase (IPK) catalyzes the Mg2+-ATP dependent phosphorylation reactions to produce isopentenyl diphosphate, an important precursor in the…”
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Computer-Informed Engineering: A New Class I Sesquiterpene Synthase JeSTS4 for the Synthesis of an Unusual C10‑(S)‑Bicyclogermacrene
Published in ACS catalysis (01-04-2022)“…Terpene synthases (TPS) catalyze the cyclization of the acyclic prenyl diphosphate precursor and are responsible for the abundance of the natural product…”
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Mechanism of Phosphatidylglycerol Activation Catalyzed by Prolipoprotein Diacylglyceryl Transferase
Published in The journal of physical chemistry. B (22-08-2019)“…Lipoproteins are essential for bacterial survival. Bacterial lipoprotein biosynthesis is accomplished by sequential modification by three enzymes in the inner…”
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Taming Tris(bipyridine)ruthenium(II) and Its Reactions in Water by Capture/Release with Shape-Switchable Symmetry-Matched Cyclophanes
Published in Journal of the American Chemical Society (23-03-2022)“…Electron/proton transfers in water proceeding from ground/excited states are the elementary reactions of chemistry. These reactions of an iconic class of…”
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Rational design of a cyclohexanone dehydrogenase for enhanced α,β-desaturation and substrate specificity
Published in Chemical science (Cambridge) (27-03-2024)“…The selective α,β-desaturation of cyclic carbonyl compounds, which are found in the core of many steroid and bioactive molecules, using green chemistry is…”
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Conformational Dynamics, Ligand Binding and Effects of Mutations in NirE an S-Adenosyl-L-Methionine Dependent Methyltransferase
Published in Scientific reports (29-01-2016)“…Heme d1, a vital tetrapyrrol involved in the denitrification processes is synthesized from its precursor molecule precorrin-2 in a chemical reaction catalysed…”
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Single-Site Mutation Induces Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450 GcoA
Published in ACS omega (21-06-2022)Get full text
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Single-Site Mutation Induces Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450GcoA
Published in ACS omega (21-06-2022)“…Cytochrome P450GcoA is an enzyme that catalyzes the guaiacol unit of lignin during the lignin breakdown via an aryl-O-demethylation reaction. This reaction is…”
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