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Induced Structural Disorder as a Molecular Mechanism for Enzyme Dysfunction in Phosphoglucomutase 1 Deficiency

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β‐Ionone as putative semiochemical suggested by ligand binding on an odorant‐binding protein of Hylamorpha elegans and electroantennographic recordings

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Selection of a fully human single domain antibody specific to Helicobacter pylori urease

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Molecular docking based virtual screening of the breast cancer target NUDT5

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Actinomycetes-derived imine reductases with a preference towards bulky amine substrates

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Structural insights into the metabolism of 2-chlorodibenzofuran by an evolved biphenyl dioxygenase

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Structures of three polycystic kidney disease-like domains fromClostridium histolyticumcollagenases ColG and ColH

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Analysis of SEMA6B gene expression in breast cancer: Identification of a new isoform

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Geometric measures of large biomolecules: Surface, volume, and pockets

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Association of a common TLR-6 polymorphism with coronary artery disease – implications for healthy ageing?

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Structural insight into the mechanism of streptozotocin inhibition of O-GlcNAcase

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Structural and biochemical characterization of two heme binding sites on α1-microglobulin using site directed mutagenesis and molecular simulation

Rutardóttir, S., Karnaukhova, E., Nantasenamat, C., Songtawee, N., Prachayasittikul, V., Rajabi, M., Rosenlöf, L. W., Alayash, A. I., & Åkerström, B. (2015) · Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics · doi:10.1016/j.bbapap.2015.10.002 · Cited by 24

Structural Analysis of Hypothetical Proteins from Helicobacter pylori: An Approach to Estimate Functions of Unknown or Hypothetical Proteins

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Crystal Structure of Silkworm Bombyx mori JHBP in Complex With 2-Methyl-2,4-Pentanediol: Plasticity of JH-Binding Pocket and Ligand-Induced Conformational Change of the Second Cavity in JHBP

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Nα-Terminal Acetylation for T Cell Recognition: Molecular Basis of MHC Class I–Restricted Nα-Acetylpeptide Presentation

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Design of novel lead molecules against RhoG protein as cancer target – a computational study

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Exploratory algorithm to devise multi-epitope subunit vaccine by investigating Leishmania donovani membrane proteins

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Yadav, P., Banerjee, A., Boruah, N., Singh, C. S., Chatterjee, P., Mukherjee, S., Dakhar, H., Nongrum, H. B., Bhattacharjee, A., & Chatterjee, A. (2020) · Scientific Reports · doi:10.1038/s41598-020-63034-3 · Cited by 24

A KARRIKIN INSENSITIVE2 paralog in lettuce mediates highly sensitive germination responses to karrikinolide

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Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design

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Structural analysis of 3-isopropylmalate dehydrogenase from the obligate piezophileShewanella benthicaDB21MT-2 and the nonpiezophileShewanella oneidensisMR-1

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Structural characteristics of the nonallosteric human cytosolic malic enzyme

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Specific Ligand Binding Domain Residues Confer Low Dioxin Responsiveness to AHR1β ofXenopus laevis

Odio, C. D., Holzman, S. A., Denison, M. S., Fraccalvieri, D., Bonati, L., Franks, D. G., Hahn, M. E., & Powell, W. H. (2013) · Biochemistry · doi:10.1021/bi301722k · Cited by 24

Crystal Structures of Pseudomonas aeruginosa GIM-1: Active-Site Plasticity in Metallo-β-Lactamases

Borra, P. S., Samuelsen, Ø., SPENCER, J. M., Walsh, T. R., Lorentzen, M. S., & Leiros, H. S. (2012) · Antimicrobial Agents and Chemotherapy · doi:10.1128/aac.02227-12 · Cited by 24

A molecular model of human Lysyl Oxidase (LOX) with optimal copper orientation in the catalytic cavity for induced fit docking studies with potential modulators

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High resolution X‐ray structures of mouse major urinary protein nasal isoform in complex with pheromones

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PDB‐scale analysis of known and putative ligand‐binding sites with structural sketches

Ito, J., Tabei, Y., Shimizu, K., Tomii, K., & Tsuda, K. (2011) · Proteins Structure Function and Bioinformatics · doi:10.1002/prot.23232 · Cited by 24

Structural analysis of K+ dependence in l-asparaginases from Lotus japonicus

Credali, A., Dı́az-Quintana, A., García‐Calderón, M., la Rosa, M. Á. D., Márquez, A. J., & Vega, J. M. (2011) · Planta · doi:10.1007/s00425-011-1393-0 · Cited by 24

Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes

Stogios, P. J., Kuhn, M. L., Evdokimova, E., Law, M., Courvalin, P. M., & Savchenko, A. V. (2016) · ACS Infectious Diseases · doi:10.1021/acsinfecdis.6b00058 · Cited by 24

Crystal structure and iterative saturation mutagenesis of ChKRED20 for expanded catalytic scope

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Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase

Gee, C. L., Drinkwater, N., Tyndall, J. D. A., Grunewald, G. L., Wu, Q., McLeish, M. J., & Martin, J. L. (2007) · Journal of Medicinal Chemistry · doi:10.1021/jm0703385 · Cited by 24

A new dehydratase conferring innate resistance to thiacetazone and intra‐amoebal survival of M ycobacterium smegmatis

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Malachite Green and Crystal Violet Decolorization by Ganoderma lucidum and Pleurotus ostreatus Supernatant and by rGlLCC1 and rPOXA 1B Concentrates: Molecular Docking Analysis

Morales-Álvarez, E. D., Rivera-Hoyos, C. M., Cuevas, S. A. P., Reyes-Guzmán, E. A., Pedroza-Rodríguez, A. M., Reyes-Montaño, E. A., & Poutou‐Piñales, R. A. (2017) · Applied Biochemistry and Biotechnology · doi:10.1007/s12010-017-2560-y · Cited by 23

Analysis of mutations leading to para-aminosalicylic acid resistance in Mycobacterium tuberculosis

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Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors

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Artonin E and Structural Analogs from Artocarpus Species Abrogates Estrogen Receptor Signaling in Breast Cancer

Etti, I. C., Abdullah, R., Hashim, N. M., Kadir, A. A., Abdul, A. B., Etti, C. J., Malami, I., Waziri, P. M., & How, C. W. (2016) · Molecules · doi:10.3390/molecules21070839 · Cited by 23

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Leishmania infantum trypanothione reductase is a promiscuous enzyme carrying an NADPH:O2 oxidoreductase activity shared by glutathione reductase

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A Balancing Act between Net Uptake of Water during Dihydrofolate Binding and Net Release of Water upon NADPH Binding in R67 Dihydrofolate Reductase

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Comparative characterization of commercially important xylanase enzymes

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Molecular dynamics simulations of ethanol binding to the transmembrane domain of the glycine receptor: Implications for the channel potentiation mechanism

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Ligand binding properties of human galanin receptors

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Experimental and computational evaluation of anti-malarial and antioxidant potential of transition metal (II) complexes with tridentate schiff base derived from pyrrolopyrimidine

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Molecular docking and simulation studies towards exploring antiviral compounds against envelope protein of Japanese encephalitis virus

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High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A β-lactamase, PenL

Yi, H., Choi, J. M., Hwang, J., Prati, F., Cao, T.-P., Lee, S. H., & Kim, H. S. (2016) · Scientific Reports · doi:10.1038/srep36527 · Cited by 22

Molecular docking, dynamics, and pharmacology studies on bexarotene as an agonist of ligand‐activated transcription factors, retinoid X receptors

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Biocontrol efficacy of apigenin isolated from Anisomeles indica (L.) Kuntze against immature stages of Culex quinquefasciatus (Say, 1823) and its in silico studies

Samuel, R., Pathalam, G., Velmurugan, B., Ragavendran, K., Mutheeswaran, S., Stalin, A., Sanmugapriya, N. K., Senthilkumaar, P., & Savarimuthu Ignacimuthu, S. J. (2023) · Biocatalysis and Agricultural Biotechnology · doi:10.1016/j.bcab.2023.102637 · Cited by 22

Gigantol, a promising natural drug for inflammation: a literature review and computational based study

Chowdhury, R., Bhuia, M. S., Rakib, A. I., Hasan, S. A., Shill, M. C., El‐Nashar, H. A. S., El‐Shazly, M., & Islam, M. T. (2024) · Natural Product Research · doi:10.1080/14786419.2024.2340042 · Cited by 22

Higher Susceptibility to Halothane Modulation in Open- Than in Closed-Channel α4β2 nAChR Revealed by Molecular Dynamics Simulations

Liu, L. T., Haddadian, E. J., Willenbring, D., Xu, Y., & Tang, P. S. (2009) · The Journal of Physical Chemistry B · doi:10.1021/jp908944e · Cited by 22

Benzenesulfonamides: A Unique Class of Chemokine Receptor Type 4 Inhibitors

Mooring, S. R., Liu, J., Liang, Z., Ahn, J. M., Hong, S., Yoon, Y., Snyder, J. P., & Shim, H. (2013) · ChemMedChem · doi:10.1002/cmdc.201200582 · Cited by 22

The dimeric crystal structure of the human fertility lipocalin glycodelin reveals a protein scaffold for the presentation of complex glycans

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Structural aspects of dog allergies: The crystal structure of a dog dander allergen Can f 4

Niemi, M. H., Rytkönen-Nissinen, M. A., Jänis, J., Virtanen, T. I., & Rouvinen, J. (2014) · Molecular Immunology · doi:10.1016/j.molimm.2014.04.003 · Cited by 23

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Molecular modeling studies of Fatty acyl-CoA synthetase (FadD13) from Mycobacterium tuberculosis—a potential target for the development of antitubercular drugs

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Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex

Morita, D., Yamamoto, Y., Mizutani, T., Ishikawa, T., Suzuki, J., Igarashi, T., Mori, N., Shiina, T., Inoko, H., Fujita, H., et al. (2016) · Nature Communications · doi:10.1038/ncomms10356 · Cited by 20

High Resolution Structures of Periplasmic Glucose-binding Protein of Pseudomonas putida CSV86 Reveal Structural Basis of Its Substrate Specificity

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Structure of a Novel Phosphotriesterase from Sphingobium sp. TCM1: A Familiar Binuclear Metal Center Embedded in a Seven-Bladed β-Propeller Protein Fold

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Pharmacoinformatics, Adaptive Evolution, and Elucidation of Six Novel Compounds for Schizophrenia Treatment by Targeting DAOA (G72) Isoforms

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High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP+

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Crystal structure of the post-fusion core of theHuman coronavirus 229Espike protein at 1.86 Å resolution

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