Structural and mechanistic analysis of engineered trichodiene synthase enzymes from Trichoderma harzianum: towards higher catalytic activities empowering sustainable agriculture.

abstract：:With a view to understanding the structural requirement for tyrosine phosphorylation, we have examined the free and Ca(2+)-bound conformations of the synthetic peptide tBoc-Leu-Pro-Tyr-Ala-NHCH3, a substrate for a protein tyrosine kinase, using circular dichroism (CD), 1H and 13C nuclear magnetic resonance (NMR) and m...

journal_title：Journal of biomolecular structure & dynamics

authors： Ananthanarayanan VS,Saint-Jean A,Cheesman BV,Hughes DW,Bain AD

更新日期：1993-12-01 00:00:00

abstract：:Partial proteolysis of the lambda cI repressor has been carried out systematically with trypsin, chymotrypsin, elastase, endoproteinase Glu-C, kallikrein, and thrombin. The cleavage sites have been determined by (i) comparison of fragments produced and observed in SDS-polyacrylamide gel with known fragments and plots ...

journal_title：Journal of biomolecular structure & dynamics

authors： Pal A,Chattopadhyaya R

更新日期：2008-12-01 00:00:00

abstract：:A computer simulation of guanine (G), cytosine (C), the G-C base pair, protonated C (CH+), acetic acid in neutral (AcOH) and deprotonated (AcO-) forms, G-AcO-, C-AcOH, and CH(+)-AcO- complexes, solvated in DMSO was carried out by the Monte Carlo method. It is shown that the G-C base pair formation in DMSO is energetic...

journal_title：Journal of biomolecular structure & dynamics

authors： Danilov VI,Slyusarchuk ON,Poltev VI,Alderfer JL

更新日期：1997-10-01 00:00:00

abstract：:Adenosine receptors (ARs) belong to family A of GPCRs that are involved in many diseases, including cerebral and cardiac ischemic diseases, immune and inflammatory disorders, etc. Thus, they represent important therapeutic targets to treat these conditions. Computational techniques such as molecular dynamics (MD) simu...

journal_title：Journal of biomolecular structure & dynamics

authors： Martínez-Archundia M,Correa-Basurto J,Montaño S,Rosas-Trigueros JL

更新日期：2019-11-01 00:00:00

abstract：:We have analysed by various approaches the structure of cloned synthetic sequences in supercoiled plasmids. Individual inserts were formed by d(C-G)n blocks interrupted by the presence of A.T pairs positioned either in phase or out of phase of pur-pyr alternation. Based on the thermodynamic analysis we obtained result...

journal_title：Journal of biomolecular structure & dynamics

authors： Vlach J,Sponar J

更新日期：1990-04-01 00:00:00

abstract：:In this review, the loading efficacies of retinoids with milk proteins are investigated. It has been shown that milk proteins β-lactoglobulin, α-, and β-caseins bind retinol and retinoic acid via hydrophobic, hydrophilic, and H-bonding contacts causing minor alterations of protein secondary structure. Hydrophobic cont...

journal_title：Journal of biomolecular structure & dynamics

authors： Agudelo D,Bourassa P,Bariyanga J,Tajmir-Riahi HA

更新日期：2018-12-01 00:00:00

abstract：:The structural analysis of the photoactivated binary system of complementary-addressing nucleic acid sequences (1:2:3) by high-resolution NMR spectroscopy and restrained molecular dynamics is reported. The binary system comprised a 12 base-pair target DNA sequence, pdGTATCAGTTTCT (1), and two hexanucleotides, (dAGAAAC...

journal_title：Journal of biomolecular structure & dynamics

authors： Bichenkova EV,Marks D,Dobrikov MI,Vlassov VV,Morris GA,Douglas KT

更新日期：1999-10-01 00:00:00

abstract：:With the explosive growth of protein sequences entering into protein data banks in the post-genomic era, it is highly demanded to develop automated methods for rapidly and effectively identifying the protein-protein binding sites (PPBSs) based on the sequence information alone. To address this problem, we proposed a p...

journal_title：Journal of biomolecular structure & dynamics

authors： Jia J,Liu Z,Xiao X,Liu B,Chou KC

更新日期：2016-09-01 00:00:00

abstract：:Two recombinant purine nucleoside phosphorylases from thermophilic bacterium Thermus thermophilus HB27 encoded by genes TT_C1070 (TthPNPI) and TT_C0194 (TthPNPII) were purified and characterized. The comparative analysis of their sequences, molecular weight, enzymes specificity and kinetics of the catalyzed reaction w...

journal_title：Journal of biomolecular structure & dynamics

authors： Timofeev VI,Fateev IV,Kostromina MA,Abramchik YA,Konstantinova ID,Volkov VV,Lykoshin DD,Mikheeva OO,Muravieva TI,Esipov RS,Kuranova IP

更新日期：2020-11-23 00:00:00

abstract：:Urate oxidase (EC 1.7.3.3) is a key enzyme in the purine metabolism which is applied in the treatment of gout and also, as a diagnostic reagent for uric acid detection. In the current study, the trehalose (TRE) effects as an additive on the structural stability and function of uricase were investigated. For recombinan...

journal_title：Journal of biomolecular structure & dynamics

authors： Taherimehr Z,Zaboli M,Torkzadeh-Mahani M

更新日期：2020-10-01 00:00:00

abstract：:Quasi-palindromic sequences (AT) X N12(AT) Y present in HS2 (hypersensitive site 2) of the human β-globin locus are known to be significantly associated with increased fetal hemoglobin (HbF) levels. High HbF levels in some adults ...

journal_title：Journal of biomolecular structure & dynamics

authors： Roy K,Mahendru S,Kukreti R,Kukreti S

更新日期：2019-09-01 00:00:00

abstract：:About one-third of the existing proteins require metal ions as cofactors for their catalytic activities and structural complexities. While many of them bind only to a specific metal, others bind to multiple (different) metal ions. However, the exact mechanism of their metal preference has not been deduced to clarity. ...

journal_title：Journal of biomolecular structure & dynamics

authors： Gogoi P,Chandravanshi M,Mandal SK,Srivastava A,Kanaujia SP

更新日期：2016-07-01 00:00:00

abstract：:We performed a neuraminidase sequence analysis of thirty-two pediatric patients with influenza B who visited Teikyo University Hospital from January 2016 to March 2017, and found oseltamivir-resistant samples belonging to the Yamagata and Victoria lineages. Comparison with the neuraminidase sequence of oseltamivir-sus...

journal_title：Journal of biomolecular structure & dynamics

authors： Kato Y,Takahashi K,Ito F,Suzuki S,Fukui K,Mimaki M,Suzuki K

更新日期：2020-05-25 00:00:00

abstract：:1, 4 and 5, 8-Positions as well as type of functionalities on these positions at anthraquinone-9, 10-dione are proposed to be significant for anticancer activity. Therefore, keeping this into consideration, a series of 1-substituted anthraquinone-based compounds are designed, synthesized, characterized and biologicall...

journal_title：Journal of biomolecular structure & dynamics

authors： Awasthi P,Vatsal M,Sharma A

更新日期：2019-10-01 00:00:00

abstract：:Room temperature Raman and infrared (IR) spectra of crystalline adenosine at pressures between 1 atm and 10 GPa are reported. Vibrational modes were identified through assignments in the literature. Many modes were found to increase in frequency with pressure; however, some irregularities were observed. Discontinuitie...

journal_title：Journal of biomolecular structure & dynamics

authors： Martin KC,Pinnick DA,Lee SA,Anderson A,Smith W,Griffey RH,Mohan V

更新日期：1999-06-01 00:00:00

abstract：:A modelling procedure has been utilized to obtain a preliminary three-dimensional structural model for the bacteriophage IKe DNA binding protein (IKe-DBP) based on the known high resolution X-ray diffraction structure of a functionally related protein (G5BP) from bacteriophage fd. The degree of structural homology obs...

journal_title：Journal of biomolecular structure & dynamics

authors： Brayer GD

更新日期：1987-04-01 00:00:00

abstract：:Elicitins, produced by most of the phytopathogenic fungi of the genus Phytophthora, provoke in the tobacco plant both remote leaf necrosis and the induction of a resistance against subsequent attack by various micro-organisms. The crystal structure of b-cryptogein (CRY), secreted by Phytophthora cryptogea, was previou...

journal_title：Journal of biomolecular structure & dynamics

authors： Demaret S,Demaret JP,Brunie S

更新日期：2000-12-01 00:00:00

abstract：:The Runt domain proteins are eukaryotic transcription factors that regulate major developmental pathways. All members of this family contain a highly-conserved sequence-specific DNA binding domain: the Runt domain (RD). Structural and biochemical studies have shown that the Runt domain undergoes a conformational trans...

journal_title：Journal of biomolecular structure & dynamics

authors： Suad O,Eyal E,Blumenzweig I,Kessler N,Levanon D,Groner Y,Shakked Z

更新日期：2007-02-01 00:00:00

abstract：:Cardiovascular diseases are the world's leading cause of death. Hypertension is an important risk factor for cardiovascular and renal diseases. Angiotensin-converting enzyme (ACE) can be a possible therapeutic target for managing angiotensin I conversion to angiotensin II and ultimately controlling hypertension. Indol...

journal_title：Journal of biomolecular structure & dynamics

authors： Sahin K

更新日期：2020-10-05 00:00:00

abstract：:Actinomycin D (ActD) is a DNA-binding antitumor antibiotic that appears to act in vivo by inhibiting RNA polymerase. The mechanism of DNA binding of ActD has attracted much attention because of its strong preference for 5'-dGpdC-3' sequences. Binding is thought to involve intercalation of the tricyclic aromatic phenox...

journal_title：Journal of biomolecular structure & dynamics

authors： Rill RL,Marsch GA,Graves DE

更新日期：1989-12-01 00:00:00

abstract：:Acinetobacter baumannii, a Gram-negative pathogen causes nosocomial infections including pneumonia, urinary tract and respiratory infections. Carbapenem group of β-lactam antibiotics are routinely used to treat A. baumannii including multidrug-resistant clinical strains. The emergence of New Delhi Metallo-β-lactamase ...

journal_title：Journal of biomolecular structure & dynamics

authors： Tiwari V,Moganty RR

更新日期：2013-01-01 00:00:00

abstract：:Over the years the structural properties of nucleic acids have been of interest, providing data that may be of importance for DNA and RNA organization and function in the cell. We have attempted to look for the formation of parallel RNA-RNA duplexes in vitro. RNA molecules comprising complementary in the same polarity...

journal_title：Journal of biomolecular structure & dynamics

authors： Tchurikov NA,Ponomarenko NA,Golova YB,Chernov BK

更新日期：1995-12-01 00:00:00

abstract：:Phospholipase A(2) belongs to a super family of enzymes that is massively over expressed in a variety of severe inflammatory diseases, which degrades membrane phospholipids. It has also been reported that this activity leads to loss of tissue, organ integrity and function. This enzyme is an important target for anti-i...

journal_title：Journal of biomolecular structure & dynamics

authors： Ompraba G,Velmurugan D,Louis PA,Rafi ZA

更新日期：2010-02-01 00:00:00

abstract：:Complexes of NaDNA with the bipyridyl-(ethylenediamine)platintum(II) (abbreviated [(bipy)Pt(en)]2+) molecular ion have been studied in solution via ultraviolet absorption experiments at 260 nm between 50 and 90 degrees C. These measurements, performed as a function of the molar ratio of the [(bipy)Pt(en)]2+ complex to...

journal_title：Journal of biomolecular structure & dynamics

authors： Szabó S,Lee SA

更新日期：2008-08-01 00:00:00

abstract：:We would be tempted to state that there has never been a Levinthal paradox. Indeed, Levinthal raised an interesting problem about protein folding, as he realized that proteins have no time to explore exhaustively their conformational space on the way to their native structure. He did not seem to find this paradoxical ...

journal_title：Journal of biomolecular structure & dynamics

authors： Rooman M,Dehouck Y,Kwasigroch JM,Biot C,Gilis D

更新日期：2002-12-01 00:00:00

abstract：:Tetra-(4-N-methylpyridyl)-porphyrin, (T4MPyP), is a tetracationic porphyrin that binds to G-C sequences of DNA by means of an intercalative mode. In order to extend its selective sequence recognition capacity for bases beyond the intercalation site, and in the major groove, we have undertaken the theoretical design of...

journal_title：Journal of biomolecular structure & dynamics

authors： Hui X,Gresh N

更新日期：1993-10-01 00:00:00

abstract：:Infections by Candida albicans in immune compromised patients cause significant morbidity and mortality. In the search for potential molecular targets for drug development, the family of agglutinin-like proteins (Als) in C. albicans have been identified due to numerous attributes associated with high virulence, most p...

journal_title：Journal of biomolecular structure & dynamics

authors： von Ranke NL,Bello ML,Cabral LM,Castro HC,Rodrigues CR

更新日期：2018-12-01 00:00:00

abstract：:Flavonoids correspond to a major class of polyphenolic phytochemicals with flavone as major parent scaffold. This class of compounds is attributed with very rich nutritional as well as therapeutic values. The present study focuses on a panel of 16 flavonoid molecules that are demonstrated to exhibit various bioactivit...

journal_title：Journal of biomolecular structure & dynamics

authors： Meshram RJ,Bagul KT,Pawnikar SP,Barage SH,Kolte BS,Gacche RN

更新日期：2020-03-01 00:00:00

abstract：:The InhA inhibitors play key role in mycolic acid synthesis by preventing the fatty acid biosynthesis pathway. In this present article, Pharmacophore modelling and molecular docking study followed by in silico virtual screening could be considered as effective strategy to identify newer enoyl-ACP reductase inhibitors....

journal_title：Journal of biomolecular structure & dynamics

authors： Modi P,Patel S,Chhabria MT

更新日期：2019-04-01 00:00:00

abstract：:Partition ratios of 8 free l-amino acids (Gln, Glu, His, Lys, Met, Ser, Thr, and Tyr) were measured in 10 different polymer/polymer aqueous two-phase systems containing 0.15 M NaCl in 0.01 M phosphate buffer, pH 7.4. The solute-specific coefficients representing the solute dipole/dipole, hydrogen-bonding and electrost...

journal_title：Journal of biomolecular structure & dynamics

authors： Madeira PP,Bessa A,Álvares-Ribeiro L,Raquel Aires-Barros M,Rodrigues AE,Uversky VN,Zaslavsky BY

更新日期：2014-01-01 00:00:00