Ekaterina Shishova, Ph.D. - Related publications

Affiliations: 
2007 University of Pennsylvania, Philadelphia, PA, United States 
Area:
structure-mechanism of hydrolytic metalloenzymes
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Marshall AC, Bruning JB. Engineering potassium activation into biosynthetic thiolase. The Biochemical Journal. PMID 34338286 DOI: 10.1042/BCJ20210455   
2021 Gerrard Wheeler MC, Arias CL, E Mello JDFR, Cirauqui Diaz N, Rodrigues CR, Drincovich MF, de Souza AMT, Alvarez CE. Structural insights into the allosteric site of Arabidopsis NADP-malic enzyme 2: role of the second sphere residues in the regulatory signal transmission. Plant Molecular Biology. PMID 34333694 DOI: 10.1007/s11103-021-01176-2   
2021 Blain JM, Grote DL, Watkins SM, Goshu GM, Muller C, Gorman JL, Ranieri G, Walter RL, Hofstetter H, Horn JR, Hagen TJ. Structural and biophysical characterization of the Burkholderia pseudomallei IspF inhibitor L-tryptophan hydroxamate. Bioorganic & Medicinal Chemistry Letters. 48: 128273. PMID 34298132 DOI: 10.1016/j.bmcl.2021.128273   
2021 Padavattan S, Jos S, Gogoi H, Bagautdinov B. Crystal structure of enoyl-CoA hydratase from Thermus thermophilus HB8. Acta Crystallographica. Section F, Structural Biology Communications. 77: 148-155. PMID 33949975 DOI: 10.1107/S2053230X21004593   
2021 Sugiura S, Nakano S, Niwa M, Hasebe F, Matsui D, Ito S. Catalytic Mechanism of Ancestral L-Lysine Oxidase Assigned by Sequence Data Mining. The Journal of Biological Chemistry. 101043. PMID 34358565 DOI: 10.1016/j.jbc.2021.101043   
2021 Gyebi GA, Elfiky AA, Ogunyemi OM, Ibrahim IM, Adegunloye AP, Adebayo JO, Olaiya CO, Ocheje JO, Fabusiwa MM. Structure-based virtual screening suggests inhibitors of 3-Chymotrypsin-Like Protease of SARS-CoV-2 from Vernonia amygdalina and Occinum gratissimum. Computers in Biology and Medicine. 136: 104671. PMID 34332348 DOI: 10.1016/j.compbiomed.2021.104671   
2021 Wangpaiboon K, Laohawuttichai P, Kim SY, Mori T, Nakapong S, Pichyangkura R, Pongsawasdi P, Hakoshima T, Krusong K. A GH13 α-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides. Acta Crystallographica. Section D, Structural Biology. 77: 1064-1076. PMID 34342279 DOI: 10.1107/S205979832100677X   
2021 DeLaney C, Sheng Y, Pectol DC, Vantansever E, Zhang H, Bhuvanesh N, Salas I, Liu WR, Fierke CF, Darensbourg MY. Zinc thiotropolone combinations as inhibitors of the SARS-CoV-2 main protease. Dalton Transactions (Cambridge, England : 2003). PMID 34396374 DOI: 10.1039/d1dt02499j   
2021 Zhang X, Huang Z, Wang D, Zhang Y, Eser BE, Gu Z, Dai R, Gao R, Guo Z. A new thermophilic extradiol dioxygenase promises biodegradation of catecholic pollutants. Journal of Hazardous Materials. 422: 126860. PMID 34399224 DOI: 10.1016/j.jhazmat.2021.126860   
2021 Weiss AKH, Wurzer R, Klapec P, Eder MP, Loeffler JR, von Grafenstein S, Monteleone S, Liedl KR, Jansen-Dürr P, Gstach H. Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1). Molecules (Basel, Switzerland). 26. PMID 34443596 DOI: 10.3390/molecules26165009   
2021 Waidha K, Zurgil U, Ben-Zeev E, Gopas J, Rajendran S, Golan-Goldhirsh A. Inhibition of Cysteine Proteases by 6,6'-Dihydroxythiobinupharidine (DTBN) from . Molecules (Basel, Switzerland). 26. PMID 34443335 DOI: 10.3390/molecules26164743   
2021 Yildiz I. Computational Analysis of the Nicotine Oxidoreductase Mechanism by the ONIOM Method. Acs Omega. 6: 22422-22428. PMID 34497931 DOI: 10.1021/acsomega.1c03357   
2021 Marshall SA, Payne KAP, Fisher K, Titchiner GR, Levy C, Hay S, Leys D. UbiD domain dynamics underpins aromatic decarboxylation. Nature Communications. 12: 5065. PMID 34417452 DOI: 10.1038/s41467-021-25278-z   
2021 Jia Q, Zeng H, Li H, Xiao N, Tang J, Gao S, Zhang J, Xie W. The C-terminal loop of guanosine deaminase is essential to catalysis. Chemical Communications (Cambridge, England). PMID 34477187 DOI: 10.1039/d1cc03042f   
2021 Currie MJ, Manjunath L, Horne CR, Rendle PM, Subramanian R, Friemann R, Fairbanks AJ, Muscroft-Taylor AC, North RA, Dobson RCJ. N-Acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization. The Journal of Biological Chemistry. 101113. PMID 34437902 DOI: 10.1016/j.jbc.2021.101113   
2021 Watson RA, Offenbacher AR, Barry BA. Detection of Catalytically Linked Conformational Changes in Wild-Type Class Ia Ribonucleotide Reductase Using Reaction-Induced FTIR Spectroscopy. The Journal of Physical Chemistry. B. PMID 34289692 DOI: 10.1021/acs.jpcb.1c03038   
2021 Singh A, Fenwick RB, Dyson HJ, Wright PE. Role of Active Site Loop Dynamics in Mediating Ligand Release from Dihydrofolate Reductase. Biochemistry. PMID 34428034 DOI: 10.1021/acs.biochem.1c00461   
2021 James MO. Enzyme Kinetics of PAPS-Sulfotransferase. Methods in Molecular Biology (Clifton, N.J.). 2342: 285-300. PMID 34272699 DOI: 10.1007/978-1-0716-1554-6_11   
2021 James MO. Enzyme Kinetics of PAPS-Sulfotransferase. Methods in Molecular Biology (Clifton, N.J.). 2342: 285-300. PMID 34272699 DOI: 10.1007/978-1-0716-1554-6_11   
2021 Veldman W, Liberato MV, Souza VP, Almeida VM, Marana SR, Tastan Bishop Ö, Polikarpov I. Differences in Gluco and Galacto Substrate-Binding Interactions in a Dual 6Pβ-Glucosidase/6Pβ-Galactosidase Glycoside Hydrolase 1 Enzyme from . Journal of Chemical Information and Modeling. PMID 34423980 DOI: 10.1021/acs.jcim.1c00413   
2021 Pandey S, Mahanta P, Berger BW, Acharya R. Structural insights into the mechanism of pH-selective substrate specificity of the polysaccharide lyase Smlt1473. The Journal of Biological Chemistry. 101014. PMID 34358563 DOI: 10.1016/j.jbc.2021.101014   
2021 Korasick DA, Christgen SL, Qureshi IA, Becker DF, Tanner JJ. Probing the function of a ligand-modulated dynamic tunnel in bifunctional proline utilization A (PutA). Archives of Biochemistry and Biophysics. 109025. PMID 34506758 DOI: 10.1016/j.abb.2021.109025   
2021 Bai Y, Parker EJ. Reciprocal allostery arising from a bi-enzyme assembly controls aromatic amino acid biosynthesis in Prevotella nigrescens. The Journal of Biological Chemistry. 101038. PMID 34343567 DOI: 10.1016/j.jbc.2021.101038   
2021 Quirke JCK, Crich D. Side Chain Conformation Restriction in the Catalysis of Glycosidic Bond Formation by Leloir Glycosyltransferases, Glycoside Phosphorylases, and Transglycosidases. Acs Catalysis. 11: 5069-5078. PMID 34367723 DOI: 10.1021/acscatal.1c00896   
2021 Hu R, Cui R, Tang Q, Lan D, Wang F, Wang Y. Enhancement of Phospholipid Binding and Catalytic Efficiency of Phospholipase D by Increasing Hydrophobicity of the Active Site Loop. Journal of Agricultural and Food Chemistry. PMID 34516129 DOI: 10.1021/acs.jafc.1c04078   
2021 Mori T, Zhai R, Ushimaru R, Matsuda Y, Abe I. Molecular insights into the endoperoxide formation by Fe(II)/α-KG-dependent oxygenase NvfI. Nature Communications. 12: 4417. PMID 34285212 DOI: 10.1038/s41467-021-24685-6   
2021 Bakunova AK, Nikolaeva AY, Rakitina TV, Isaikina TY, Khrenova MG, Boyko KM, Popov VO, Bezsudnova EY. The Uncommon Active Site of D-Amino Acid Transaminase from : Biochemical and Structural Insights into the New Enzyme. Molecules (Basel, Switzerland). 26. PMID 34443642 DOI: 10.3390/molecules26165053   
2021 Reyes Romero A, Lunev S, Popowicz GM, Calderone V, Gentili M, Sattler M, Plewka J, Taube M, Kozak M, Holak TA, Dömling ASS, Groves MR. A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity. Communications Biology. 4: 949. PMID 34376783 DOI: 10.1038/s42003-021-02442-1   
2021 Miranda-Rojas S, Blanco-Esperguez K, Tuñón I, Kästner J, Mendizábal F. Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study. Biomolecules. 11. PMID 34356675 DOI: 10.3390/biom11071051   
2021 Bandyopadhyay A, Saxena AK. Structural and ATPase activity analysis of nucleotide binding domain of Rv3870 enzyme of M. tuberculosis ESX-1 system. International Journal of Biological Macromolecules. PMID 34428493 DOI: 10.1016/j.ijbiomac.2021.08.130   
2021 Martínez-Aldino IY, Villaseca-Murillo M, Morales-Jiménez J, Rivera-Chávez J. Absolute configuration and protein tyrosine phosphatase 1B inhibitory activity of xanthoepocin, a dimeric naphtopyrone from Penicillium sp. IQ-429. Bioorganic Chemistry. 115: 105166. PMID 34384957 DOI: 10.1016/j.bioorg.2021.105166   
2021 Bose I, Zhao Y. Selective Hydrolysis of Aryl Esters under Acidic and Neutral Conditions by a Synthetic Aspartic Protease Mimic. Acs Catalysis. 11: 3938-3942. PMID 34422449 DOI: 10.1021/acscatal.1c00371   
2021 Nguyen TM, Goto M, Noda S, Matsutani M, Hodoya Y, Kataoka N, Adachi O, Matsushita K, Yakushi T. The 5-ketofructose reductase of sp. strain CHM43 is a novel class in the shikimate dehydrogenase family. Journal of Bacteriology. JB0055820. PMID 34309403 DOI: 10.1128/JB.00558-20   
2021 Yeh CC, Pierides C, Jameson G, de Visser S. Structure and functional differences of cysteine and 3-mercaptopropionate dioxygenases. A computational study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34310770 DOI: 10.1002/chem.202101878   
2021 Darrouzet E, Rinaldi C, Zambelli B, Ciurli S, Cavazza C. Revisiting the CooJ family, a potential chaperone for nickel delivery to [NiFe]‑carbon monoxide dehydrogenase. Journal of Inorganic Biochemistry. 225: 111588. PMID 34530332 DOI: 10.1016/j.jinorgbio.2021.111588   
2021 Fu M, Shen W, Gao W, Namujia L, Yang X, Cao J, Sun L. Essential moieties of myricetins, quercetins and catechins for binding and inhibitory activity against α-Glucosidase. Bioorganic Chemistry. 115: 105235. PMID 34388484 DOI: 10.1016/j.bioorg.2021.105235   
2021 Greve JM, Pinkham AM, Thompson Z, Cowan JA. Active Site Characterization and Activity of the Human Aspartyl (Asparaginyl) β-Hydroxylase. Metallomics : Integrated Biometal Science. PMID 34543426 DOI: 10.1093/mtomcs/mfab056   
2021 Chan SI, Chang WH, Huang SH, Lin HH, Yu SS. Catalytic machinery of methane oxidation in particulate methane monooxygenase (pMMO). Journal of Inorganic Biochemistry. 225: 111602. PMID 34547604 DOI: 10.1016/j.jinorgbio.2021.111602   
2021 Douglas CD, Grandinetti L, Easton NM, Kuehm OP, Hayden JA, Hamilton MC, St Maurice M, Bearne SL. Slow-Onset, Potent Inhibition of Mandelate Racemase by 2-Formylphenylboronic Acid. An Unexpected Adduct Clasps with the Catalytic Machinery. Biochemistry. PMID 34339165 DOI: 10.1021/acs.biochem.1c00374   
2021 Atasever Arslan B, Kaya B, Şahin O, Baday S, Saylan CC, Ülküseven B. The iron(III) and nickel(II) complexes with tetradentate thiosemicarbazones. Synthesis, experimental, theoretical characterization, and antiviral effect against SARS-CoV-2. Journal of Molecular Structure. 1246: 131166. PMID 34316082 DOI: 10.1016/j.molstruc.2021.131166   
2021 Zhao L, Mondal D, Li W, Mu Y, Kaldis P. Histidine protonation states are key in the LigI catalytic reaction mechanism. Proteins. PMID 34318530 DOI: 10.1002/prot.26191   
2021 Collins AP, Abdelfattah W. Structure-based virtual screening of essential Mycobacterium tuberculosis enzymes AspS and KatG for potential inhibitors. Bioinformation. 17: 101-108. PMID 34393424 DOI: 10.6026/97320630017101   
2021 Carr SC, Torres MA, Morris JS, Facchini PJ, Ng KKS. Structural studies of codeinone reductase reveal novel insights into aldo-keto reductase function in benzylisoquinoline alkaloid biosynthesis. The Journal of Biological Chemistry. 101211. PMID 34547292 DOI: 10.1016/j.jbc.2021.101211   
2021 Cao J, Yan S, Xiao Y, Han L, Sun L, Wang M. Number of galloyl moiety and intramolecular bonds in galloyl-based polyphenols affect their interaction with alpha-glucosidase. Food Chemistry. 367: 129846. PMID 34399273 DOI: 10.1016/j.foodchem.2021.129846   
2021 Sartor P, Denkhaus L, Gerhardt S, Einsle O, Fetzner S. Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. Journal of Structural Biology. 107794. PMID 34506908 DOI: 10.1016/j.jsb.2021.107794   
2021 Zhang Y, He S, Rui X, Simpson BK. Interactions of C. frondosa-derived inhibitory peptides against angiotensin I-converting enzyme (ACE), α-amylase and lipase. Food Chemistry. 367: 130695. PMID 34365251 DOI: 10.1016/j.foodchem.2021.130695   
2021 Min K, Kim H, Park HJ, Lee S, Jung YJ, Yoon JH, Lee JS, Park K, Yoo YJ, Joo JC. Improving the catalytic performance of xylanase from Bacillus circulans through structure-based rational design. Bioresource Technology. 340: 125737. PMID 34426235 DOI: 10.1016/j.biortech.2021.125737   
2021 Chao RR, Lau IC, Coleman T, Churchman LR, Child SA, Lee JHZ, Bruning JB, De Voss JJ, Bell SG. The stereoselective oxidation of para-substituted benzenes by a cytochrome P450 biocatalyst. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34350662 DOI: 10.1002/chem.202102757   
2021 Guo Y, Li DF, Zheng J, Xu Y, Zhou NY. Single-component and two-component -nitrophenol monooxygenases: structural basis for their catalytic difference. Applied and Environmental Microbiology. AEM0117121. PMID 34469195 DOI: 10.1128/AEM.01171-21   
2021 Wander R, Kaminski AM, Xu Y, Pagadala V, Krahn JM, Pham TQ, Liu J, Pedersen LC. Deciphering the substrate recognition mechanisms of the heparan sulfate 3--sulfotransferase-3. Rsc Chemical Biology. 2: 1239-1248. PMID 34458837 DOI: 10.1039/d1cb00079a