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Tytuł:
VirtuousPocketome: a computational tool for screening protein-ligand complexes to identify similar binding sites.
Autorzy:
Pallante L; Department of Mechanical and Aerospace Engineering, Politecnico di Torino, PolitoBIOMedLab, 10129, Torino, Italy.
Cannariato M; Department of Mechanical and Aerospace Engineering, Politecnico di Torino, PolitoBIOMedLab, 10129, Torino, Italy.
Androutsos L; InSyBio PC, 265 04, Patras, Greece.
Zizzi EA; Department of Mechanical and Aerospace Engineering, Politecnico di Torino, PolitoBIOMedLab, 10129, Torino, Italy.
Bompotas A; Industrial Systems Institute, Athena Research Center, 265 04, Patras, Greece.
Hada X; Department of Mechanical and Aerospace Engineering, Politecnico di Torino, PolitoBIOMedLab, 10129, Torino, Italy.
Grasso G; Dalle Molle Institute for Artificial Intelligence IDSIA USI-SUPSI, 6962, Lugano-Viganello, Switzerland.
Kalogeras A; Industrial Systems Institute, Athena Research Center, 265 04, Patras, Greece.
Mavroudi S; Department of Nursing, School of Health Rehabilitation Sciences, University of Patras, 265 04, Patras, Greece.
Di Benedetto G; 7hc srl, Rome, Italy.
Theofilatos K; InSyBio PC, 265 04, Patras, Greece.
Deriu MA; Department of Mechanical and Aerospace Engineering, Politecnico di Torino, PolitoBIOMedLab, 10129, Torino, Italy. .
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Źródło:
Scientific reports [Sci Rep] 2024 Mar 15; Vol. 14 (1), pp. 6296. Date of Electronic Publication: 2024 Mar 15.
Typ publikacji:
Journal Article
MeSH Terms:
Proteins*/metabolism
Taste Buds*/metabolism
Humans ; Ligands ; Binding Sites ; Taste ; Protein Binding
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Revealing the mechanistic interactions of profenofos and captan pesticides with serum protein via biophysical and computational investigations.
Autorzy:
Phopin K; Center for Research Innovation and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, 10700, Thailand.; Department of Clinical Microbiology and Applied Technology, Faculty of Medical Technology, Mahidol University, Bangkok, 10700, Thailand.
Ruankham W; Center for Research Innovation and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, 10700, Thailand.
Prachayasittikul S; Center for Research Innovation and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, 10700, Thailand.
Prachayasittikul V; Department of Clinical Microbiology and Applied Technology, Faculty of Medical Technology, Mahidol University, Bangkok, 10700, Thailand.
Tantimongcolwat T; Center for Research Innovation and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, 10700, Thailand. .
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Źródło:
Scientific reports [Sci Rep] 2024 Jan 20; Vol. 14 (1), pp. 1788. Date of Electronic Publication: 2024 Jan 20.
Typ publikacji:
Journal Article
MeSH Terms:
Captan*
Pesticides*
Organothiophosphates*
Protein Binding ; Spectrometry, Fluorescence ; Molecular Docking Simulation ; Serum Albumin/metabolism ; Serum Albumin, Bovine/chemistry ; Binding Sites ; Thermodynamics ; Circular Dichroism
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Autorzy:
de Souza Neto LR; LaBECFar - Laboratory of Experimental and Computational Biochemistry of Drugs, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro, Brazil.
Montoya BO; LaBECFar - Laboratory of Experimental and Computational Biochemistry of Drugs, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro, Brazil.
Brandão-Neto J; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Harwell, UK.; Research Complex at Harwell, Harwell Science and Innovation Campus, Harwell, UK.
Verma A; Division of Structural Biology, The Wellcome Centre for Human Genetics, University of Oxford, Oxford, UK.
Bowyer S; Department of Infection Biology, London School of Hygiene and Tropical Medicine, London, UK.
Moreira-Filho JT; LabMol - Laboratory for Molecular Modeling and Design, Faculty of Pharmacy, Universidade Federal de Goiás, Goiânia, Brazil.
Dantas RF; LaBECFar - Laboratory of Experimental and Computational Biochemistry of Drugs, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro, Brazil.
Neves BJ; Laboratory of Cheminformatics, Faculty of Pharmacy, Universidade Federal de Goiás, Goiânia, Brazil.
Andrade CH; LabMol - Laboratory for Molecular Modeling and Design, Faculty of Pharmacy, Universidade Federal de Goiás, Goiânia, Brazil.; CRAFT - Center for Research and Advancement of Fragments and Molecular Targets, University of São Paulo, São Paulo, Brazil.
von Delft F; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Harwell, UK.; Research Complex at Harwell, Harwell Science and Innovation Campus, Harwell, UK.; Centre for Medicines Discovery, University of Oxford, Oxford, UK.; Department of Biochemistry, University of Johannesburg, Johannesburg, South Africa.
Owens RJ; Division of Structural Biology, The Wellcome Centre for Human Genetics, University of Oxford, Oxford, UK. .; Structural Biology, Rosalind Franklin Institute, Harwell, UK. .
Furnham N; Department of Infection Biology, London School of Hygiene and Tropical Medicine, London, UK. .
Silva-Jr FP; LaBECFar - Laboratory of Experimental and Computational Biochemistry of Drugs, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro, Brazil. .
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Źródło:
Scientific reports [Sci Rep] 2024 Jan 18; Vol. 14 (1), pp. 1582. Date of Electronic Publication: 2024 Jan 18.
Typ publikacji:
Journal Article
MeSH Terms:
Schistosomiasis*/drug therapy
Schistosomiasis mansoni*/parasitology
Multienzyme Complexes*
NADH, NADPH Oxidoreductases*
Animals ; Child ; Humans ; Schistosoma mansoni ; Crystallography, X-Ray ; NADP/metabolism ; Binding Sites
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Effect of histidine protonation state on ligand binding at the ATP-binding site of human protein kinase CK2.
Autorzy:
Winiewska-Szajewska M; Institute of Biochemistry and Biophysics PAS, Pawinskiego 5a, 02-106, Warsaw, Poland. .; Division of Biophysics, Institute of Experimental Physics, University of Warsaw, Pasteura 5, 02-089, Warsaw, Poland. .
Paprocki D; Institute of Biochemistry and Biophysics PAS, Pawinskiego 5a, 02-106, Warsaw, Poland.
Marzec E; Institute of Biochemistry and Biophysics PAS, Pawinskiego 5a, 02-106, Warsaw, Poland.
Poznański J; Institute of Biochemistry and Biophysics PAS, Pawinskiego 5a, 02-106, Warsaw, Poland. .
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Źródło:
Scientific reports [Sci Rep] 2024 Jan 17; Vol. 14 (1), pp. 1463. Date of Electronic Publication: 2024 Jan 17.
Typ publikacji:
Journal Article
MeSH Terms:
Histidine*/metabolism
Casein Kinase II*/metabolism
Humans ; Protein Binding ; Ligands ; Binding Sites ; Catalytic Domain ; Adenosine Triphosphate/metabolism ; Hydrogen-Ion Concentration
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Computational completion of the Aurora interaction region of N-Myc in the Aurora a kinase complex.
Autorzy:
Altiner P; Institut de Pharmacologie et de Biologie Structurale (IPBS), CNRS, Université Toulouse III - Paul Sabatier (UT3), 31077, Toulouse, France.
Çınaroğlu SS; Department of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK.
Timucin AC; Department of Molecular Biology and Genetics, Faculty of Engineering and Natural Sciences, Acibadem University, 34752, Istanbul, Turkey. .
Timucin E; Department of Biostatistics and Medical Informatics, School of Medicine, Acibadem University, 34752, Istanbul, Turkey. .
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Źródło:
Scientific reports [Sci Rep] 2023 Oct 26; Vol. 13 (1), pp. 18399. Date of Electronic Publication: 2023 Oct 26.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Aurora Kinase A*/chemistry
Epilepsy*
Neuroblastoma*
N-Myc Proto-Oncogene Protein*
Humans ; Binding Sites ; Molecular Dynamics Simulation
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Autorzy:
Pattelli ON; Sarafan ChEM-H, Stanford University, Stanford, CA, 94305, USA.; Macromolecular Structure Knowledge Center, Stanford University, Stanford, CA, 93405, USA.
Diec DDL; Sarafan ChEM-H, Stanford University, Stanford, CA, 94305, USA.; Macromolecular Structure Knowledge Center, Stanford University, Stanford, CA, 93405, USA.
Guo W; Sarafan ChEM-H, Stanford University, Stanford, CA, 94305, USA.; Macromolecular Structure Knowledge Center, Stanford University, Stanford, CA, 93405, USA.
Russi S; Structural Molecular Biology Group, Stanford Synchrotron Radiation Lightsource (SSRL), SLAC National Accelerator Laboratory, Menlo Park, CA, 94205, USA.
Fernandez D; Sarafan ChEM-H, Stanford University, Stanford, CA, 94305, USA. .; Macromolecular Structure Knowledge Center, Stanford University, Stanford, CA, 93405, USA. .
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Źródło:
Scientific reports [Sci Rep] 2023 Oct 20; Vol. 13 (1), pp. 17926. Date of Electronic Publication: 2023 Oct 20.
Typ publikacji:
Journal Article; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
MeSH Terms:
Allergens*
Peptides*/chemistry
Binding Sites ; Serine Endopeptidases ; Serine ; Aspergillus/chemistry
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
The impact of non-synonymous mutations on miRNA binding sites within the SARS-CoV-2 NSP3 and NSP4 genes.
Autorzy:
Rad SMAH; Department of Microbiology and Immunology, University of Otago, Dunedin, New Zealand. .; Center of Excellence in Immunology and Immune-Mediated Diseases, Chulalongkorn University, Bangkok, Thailand. .; Department of Microbiology, Faculty of Medicine, Chulalongkorn University, King Chulalongkorn Memorial Hospital, Thai Red Cross Society, Bangkok, Thailand. .
Wannigama DL; Department of Microbiology, Faculty of Medicine, Chulalongkorn University, King Chulalongkorn Memorial Hospital, Thai Red Cross Society, Bangkok, Thailand.; Department of Infectious Diseases and Infection Control, Yamagata Prefectural Central Hospital, Yamagata, Japan.; Center of Excellence in Antimicrobial Resistance and Stewardship Research, Faculty of Medicine, Chulalongkorn University, Bangkok, Thailand.; School of Medicine, Faculty of Health and Medical Sciences, The University of Western Australia, Nedlands, WA, Australia.; Biofilms and Antimicrobial Resistance Consortium of ODA Receiving Countries, The University of Sheffield, Sheffield, UK.; Pathogen Hunter's Research Team, Department of Infectious Diseases and Infection Control, Yamagata Prefectural Central Hospital, Yamagata, Japan.; Yamagata Prefectural University of Health Sciences, Kamiyanagi, Yamagata, 990-2212, Japan.
Hirankarn N; Center of Excellence in Immunology and Immune-Mediated Diseases, Chulalongkorn University, Bangkok, Thailand. .; Department of Microbiology, Faculty of Medicine, Chulalongkorn University, King Chulalongkorn Memorial Hospital, Thai Red Cross Society, Bangkok, Thailand. .
McLellan AD; Department of Microbiology and Immunology, University of Otago, Dunedin, New Zealand. .
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Źródło:
Scientific reports [Sci Rep] 2023 Oct 07; Vol. 13 (1), pp. 16945. Date of Electronic Publication: 2023 Oct 07.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
MicroRNAs*/metabolism
SARS-CoV-2*/genetics
SARS-CoV-2*/metabolism
Humans ; Binding Sites ; COVID-19/genetics
SCR Organism:
SARS-CoV-2 variants
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Comparison of antithrombin activity assays in detection of patients with heparin binding site antithrombin deficiency: systematic review and meta-analysis.
Autorzy:
Rojnik T; Laboratory for Haemostasis and Atherothrombosis, Department of Vascular Diseases, University Medical Centre Ljubljana, 1000, Ljubljana, Slovenia. .; Faculty of Pharmacy, University of Ljubljana, 1000, Ljubljana, Slovenia. .
Sedlar N; Laboratory for Haemostasis and Atherothrombosis, Department of Vascular Diseases, University Medical Centre Ljubljana, 1000, Ljubljana, Slovenia.
Turk N; Central Medical Library, Faculty of Medicine, University of Ljubljana, 1000, Ljubljana, Slovenia.
Kastrin A; Faculty of Medicine, Institute for Biostatistics and Medical Informatics, University of Ljubljana, 1000, Ljubljana, Slovenia.
Debeljak M; Clinical Institute for Special Laboratory Diagnostics, University Children's Hospital, University Medical Centre Ljubljana, 1000, Ljubljana, Slovenia.; Department of Paediatrics, Faculty of Medicine, University of Ljubljana, 1000, Ljubljana, Slovenia.
Božič Mijovski M; Laboratory for Haemostasis and Atherothrombosis, Department of Vascular Diseases, University Medical Centre Ljubljana, 1000, Ljubljana, Slovenia.; Faculty of Pharmacy, University of Ljubljana, 1000, Ljubljana, Slovenia.
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Źródło:
Scientific reports [Sci Rep] 2023 Oct 04; Vol. 13 (1), pp. 16734. Date of Electronic Publication: 2023 Oct 04.
Typ publikacji:
Meta-Analysis; Systematic Review; Journal Article
MeSH Terms:
Heparin*/metabolism
Antithrombin III Deficiency*/diagnosis
Antithrombin III Deficiency*/genetics
Humans ; Anticoagulants ; Blood Coagulation Tests/methods ; Binding Sites ; Antithrombins/chemistry
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
De novo prediction of explicit water molecule positions by a novel algorithm within the protein design software MUMBO.
Autorzy:
Kriegel M; Division of Biotechnology, Department of Biology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Erlangen, Germany.
Muller YA; Division of Biotechnology, Department of Biology, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Erlangen, Germany. .
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Źródło:
Scientific reports [Sci Rep] 2023 Oct 04; Vol. 13 (1), pp. 16680. Date of Electronic Publication: 2023 Oct 04.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Water*/chemistry
Proteins*/metabolism
Binding Sites ; Ligands ; Protein Binding ; Algorithms ; Software
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
KaScape: a sequencing-based method for global characterization of protein‒DNA binding affinity.
Autorzy:
Chen H; State Key Laboratory of Protein and Plant Gene Research, School of Life Sciences, and Biomedical Pioneering Innovation Center (BIOPIC), Peking University, Beijing, 100871, China.
Xu Y; State Key Laboratory of Protein and Plant Gene Research, School of Life Sciences, and Biomedical Pioneering Innovation Center (BIOPIC), Peking University, Beijing, 100871, China.
Jin J; State Key Laboratory of Integrated Management of Pest Insects and Rodents, Institute of Zoology, Chinese Academy of Sciences, 1 Beichen West Road, Chaoyang District, Beijing, 100101, People's Republic of China.
Su XD; State Key Laboratory of Protein and Plant Gene Research, School of Life Sciences, and Biomedical Pioneering Innovation Center (BIOPIC), Peking University, Beijing, 100871, China. .
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Źródło:
Scientific reports [Sci Rep] 2023 Oct 03; Vol. 13 (1), pp. 16595. Date of Electronic Publication: 2023 Oct 03.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Transcription Factors*/genetics
Transcription Factors*/metabolism
DNA-Binding Proteins*/genetics
DNA-Binding Proteins*/metabolism
Protein Binding ; DNA/metabolism ; Binding Sites
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Decoding the dual recognition mechanism of the glucocorticoid receptor for DNA and RNA: sequence versus shape.
Autorzy:
Hörberg J; Department of Chemistry and Molecular Biology, University of Gothenburg, 405 30, Göteborg, Sweden.
Reymer A; Department of Chemistry and Molecular Biology, University of Gothenburg, 405 30, Göteborg, Sweden. .
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Źródło:
Scientific reports [Sci Rep] 2023 Sep 26; Vol. 13 (1), pp. 16125. Date of Electronic Publication: 2023 Sep 26.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Receptors, Glucocorticoid*/genetics
Nucleic Acids*
DNA ; RNA, Double-Stranded ; Binding Sites
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
A novel binding site between the voltage-dependent calcium channel Ca V 1.2 subunit and Ca V β2 subunit discovered using a new analysis method for protein-protein interactions.
Autorzy:
Murakami AM; Department of Pharmacology, Hirosaki University Graduate School of Medicine, 5 Zaifucho, Hirosaki, 036-8562, Japan.
Nagatomo K; Department of Pharmacology, Hirosaki University Graduate School of Medicine, 5 Zaifucho, Hirosaki, 036-8562, Japan.
Miyoshi I; Department of Laboratory Animal Medicine, Tohoku University School of Medicine, 2-1 Seiryo-Machi, Aoba-ku, Sendai, 980-8575, Japan.
Itagaki S; Collaboration Center for Community and Industry, Sapporo Medical University, S1 W17, Chuo-ku, Sapporo, 060-8556, Japan.
Niwa Y; Department of Pharmacology, Hirosaki University Graduate School of Medicine, 5 Zaifucho, Hirosaki, 036-8562, Japan.
Murakami M; Department of Pharmacology, Hirosaki University Graduate School of Medicine, 5 Zaifucho, Hirosaki, 036-8562, Japan. .
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Źródło:
Scientific reports [Sci Rep] 2023 Aug 26; Vol. 13 (1), pp. 13986. Date of Electronic Publication: 2023 Aug 26.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Calcium Channels*/genetics
Protein Domains ; Binding Sites ; Epitopes ; Clone Cells
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Moderate binding of villin headpiece protein to C 3 N 3 nanosheet reveals the suitable biocompatibility of this nanomaterial.
Autorzy:
Luo Y; Department of Gastrointestinal and Hepatobiliary Surgery, Shenzhen Longhua District Central Hospital, No. 187, Guanlan Road, Longhua District, Shenzhen, 518110, Guangdong, China. .
Gu Z; College of Physical Science and Technology, Yangzhou University, Jiangsu, 225009, China.
Perez-Aguilar JM; School of Chemical Sciences, Meritorious Autonomous University of Puebla (BUAP), 72570, University City, Puebla, Mexico.
Liao W; Department of Radiology, Guangzhou Nansha District Maternal and Child Health Hospital, No. 103, Haibang Road, Nansha District, Guangzhou, 511457, Guangdong, China.
Huang Y; Department of Emergency, Nansha Hospital, Guangzhou First People's Hospital, Guangzhou, Guangdong, China.
Luo Y; Department of Gastrointestinal and Hepatobiliary Surgery, Shenzhen Longhua District Central Hospital, No. 187, Guanlan Road, Longhua District, Shenzhen, 518110, Guangdong, China.
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Źródło:
Scientific reports [Sci Rep] 2023 Aug 23; Vol. 13 (1), pp. 13783. Date of Electronic Publication: 2023 Aug 23.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Carbon*
Nanostructures*
Binding Sites ; Adsorption
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Molecular modelling and site-directed mutagenesis provide insight into saccharide pyruvylation by the Paenibacillus alvei CsaB enzyme.
Autorzy:
Stefanović C; NanoGlycobiology Research Group, Department of Chemistry, Institute of Biochemistry, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.; Department of Bionanosciences, Institute of Biologically Inspired Materials, Universität für Bodenkultur Wien, Muthgasse 11, 1190, Vienna, Austria.
Hager-Mair FF; NanoGlycobiology Research Group, Department of Chemistry, Institute of Biochemistry, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.; Department of Bionanosciences, Institute of Biologically Inspired Materials, Universität für Bodenkultur Wien, Muthgasse 11, 1190, Vienna, Austria.
Breslmayr E; Department of Food Science and Technology, Biocatalysis and Biosensing Laboratory, Universität für Bodenkultur Wien, Muthgasse 11, 1190, Vienna, Austria.; Department of Material Sciences and Process Engineering, Institute for Molecular Modelling and Simulation, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.
López-Guzmán A; NanoGlycobiology Research Group, Department of Chemistry, Institute of Biochemistry, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.; Department of Bionanosciences, Institute of Biologically Inspired Materials, Universität für Bodenkultur Wien, Muthgasse 11, 1190, Vienna, Austria.; Covirabio GmbH, Brehmstrasse 14a, 1110, Vienna, Austria.
Lim C; Department of Chemistry, Institute of Organic Chemistry, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.
Blaukopf M; Department of Chemistry, Institute of Organic Chemistry, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.
Kosma P; Department of Chemistry, Institute of Organic Chemistry, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.
Oostenbrink C; Department of Material Sciences and Process Engineering, Institute for Molecular Modelling and Simulation, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria.
Ludwig R; Department of Food Science and Technology, Biocatalysis and Biosensing Laboratory, Universität für Bodenkultur Wien, Muthgasse 11, 1190, Vienna, Austria.
Schäffer C; NanoGlycobiology Research Group, Department of Chemistry, Institute of Biochemistry, Universität für Bodenkultur Wien, Muthgasse 18, 1190, Vienna, Austria. .; Department of Bionanosciences, Institute of Biologically Inspired Materials, Universität für Bodenkultur Wien, Muthgasse 11, 1190, Vienna, Austria. .
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Źródło:
Scientific reports [Sci Rep] 2023 Aug 17; Vol. 13 (1), pp. 13394. Date of Electronic Publication: 2023 Aug 17.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Paenibacillus*/genetics
Bacillus*
Mutagenesis, Site-Directed ; Binding Sites
SCR Organism:
Paenibacillus alvei
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Identification of ligand binding sites in intrinsically disordered proteins with a differential binding score.
Autorzy:
Chen QH; Department of Chemistry and Biochemistry, California State University Fresno, Fresno, CA, 93740, USA.
Krishnan VV; Department of Chemistry and Biochemistry, California State University Fresno, Fresno, CA, 93740, USA. .; Department of Pathology and Molecular Medicine, University of California Davis, Davis, CA, 95616, USA. .
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Źródło:
Scientific reports [Sci Rep] 2021 Nov 19; Vol. 11 (1), pp. 22583. Date of Electronic Publication: 2021 Nov 19.
Typ publikacji:
Journal Article; Research Support, N.I.H., Extramural
MeSH Terms:
Binding Sites*
Ligands*
Proteins/*chemistry
Biophysical Phenomena ; Biophysics ; Drug Discovery ; Humans ; Intrinsically Disordered Proteins/chemistry ; Models, Statistical ; Molecular Dynamics Simulation ; Protein Binding ; Protein Conformation ; Protein Domains ; Tumor Suppressor Protein p53/chemistry
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Autorzy:
Sudasinghe TD; Department of Pharmaceutical Sciences, University of Nebraska Medical Center, Omaha, NE, 68198, USA.
Banco MT; Department of Pharmaceutical Sciences, University of Nebraska Medical Center, Omaha, NE, 68198, USA.; Biochemistry and Biophysics Center, National Heart, Lung, and Blood Institute, Bethesda, MD, 20892-8012, USA.
Ronning DR; Department of Pharmaceutical Sciences, University of Nebraska Medical Center, Omaha, NE, 68198, USA. .
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Źródło:
Scientific reports [Sci Rep] 2021 Nov 15; Vol. 11 (1), pp. 22240. Date of Electronic Publication: 2021 Nov 15.
Typ publikacji:
Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
MeSH Terms:
Binding Sites*
Models, Molecular*
Antitubercular Agents/*chemistry
Betaine/*analogs & derivatives
Biosynthetic Pathways/*drug effects
Ergothioneine/*chemistry
Histidine/*analogs & derivatives
Mycobacterium tuberculosis/*drug effects
Antitubercular Agents/pharmacology ; Betaine/chemistry ; Betaine/metabolism ; Dose-Response Relationship, Drug ; Ergothioneine/biosynthesis ; Histidine/chemistry ; Histidine/metabolism ; Histidine/pharmacology ; Molecular Conformation ; Molecular Structure ; Mycobacterium tuberculosis/metabolism ; Structure-Activity Relationship
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Autoencoder-based detection of the residues involved in G protein-coupled receptor signaling.
Autorzy:
Tsuchiya Y; Artificial Intelligence Research Center, National Institute of Advanced Industrial Science and Technology, 2-4-7 Aomi, Koto-ku, Tokyo, 135-0064, Japan. .
Taneishi K; Center for Advanced Photonics, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan.
Yonezawa Y; High Pressure Protein Research Center, Institute of Advanced Technology, Kindai University, 930 Nishimitani, Kinokawa, Wakayama, 649-6493, Japan.
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Źródło:
Scientific reports [Sci Rep] 2021 Oct 06; Vol. 11 (1), pp. 19867. Date of Electronic Publication: 2021 Oct 06.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Amino Acid Motifs*
Binding Sites*
Models, Molecular*
Protein Interaction Domains and Motifs*
Quantitative Structure-Activity Relationship*
Computational Biology/*methods
Receptors, G-Protein-Coupled/*chemistry
Humans ; Ligands ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Protein Binding ; Protein Conformation ; Receptors, G-Protein-Coupled/metabolism
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Molecular basis of non-deletional HPFH in Thailand and identification of two novel mutations at the binding sites of CCAAT and GATA-1 transcription factors.
Autorzy:
Singha K; Centre for Research and Development of Medical Diagnostic Laboratories, Faculty of Associated Medical Sciences, Khon Kaen University, Khon Kaen, 40002, Thailand.; Faculty of Medicine, Mahasarakham University, Kantharawichai, Mahasarakham, Thailand.
Pansuwan A; Centre for Research and Development of Medical Diagnostic Laboratories, Faculty of Associated Medical Sciences, Khon Kaen University, Khon Kaen, 40002, Thailand.
Chewasateanchai M; Regional Health Promotion Center 7, Ministry of Public Health, Khon Kaen, Thailand.
Fucharoen G; Centre for Research and Development of Medical Diagnostic Laboratories, Faculty of Associated Medical Sciences, Khon Kaen University, Khon Kaen, 40002, Thailand.
Fucharoen S; Centre for Research and Development of Medical Diagnostic Laboratories, Faculty of Associated Medical Sciences, Khon Kaen University, Khon Kaen, 40002, Thailand. .
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Źródło:
Scientific reports [Sci Rep] 2023 Jul 24; Vol. 13 (1), pp. 11926. Date of Electronic Publication: 2023 Jul 24.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
GATA Transcription Factors*
gamma-Globins*
Adult ; Humans ; Thailand ; Binding Sites ; Transcription Factors ; Fetal Hemoglobin ; Mutation
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Chain-specificity of laminin α1-5 LG45 modules in the recognition of carbohydrate-linked receptors and intramolecular binding.
Autorzy:
Matsunuma M; Department of Clinical Biochemistry, Tokyo University of Pharmacy and Life Sciences, 1432-1 Horinouchi, Hachioji, Tokyo, 192-0392, Japan.
Kan R; Department of Clinical Biochemistry, Tokyo University of Pharmacy and Life Sciences, 1432-1 Horinouchi, Hachioji, Tokyo, 192-0392, Japan.
Yamada Y; Department of Clinical Biochemistry, Tokyo University of Pharmacy and Life Sciences, 1432-1 Horinouchi, Hachioji, Tokyo, 192-0392, Japan.
Hamada K; Department of Clinical Biochemistry, Tokyo University of Pharmacy and Life Sciences, 1432-1 Horinouchi, Hachioji, Tokyo, 192-0392, Japan.
Kanagawa M; Department of Cell Biology and Molecular Medicine, Ehime University Graduate School of Medicine, Toon, Ehime, 791-0295, Japan.
Nomizu M; Department of Clinical Biochemistry, Tokyo University of Pharmacy and Life Sciences, 1432-1 Horinouchi, Hachioji, Tokyo, 192-0392, Japan.
Kikkawa Y; Department of Clinical Biochemistry, Tokyo University of Pharmacy and Life Sciences, 1432-1 Horinouchi, Hachioji, Tokyo, 192-0392, Japan. .
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Źródło:
Scientific reports [Sci Rep] 2023 Jun 27; Vol. 13 (1), pp. 10430. Date of Electronic Publication: 2023 Jun 27.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Laminin*/metabolism
Heparitin Sulfate*
Humans ; HEK293 Cells ; Protein Binding/physiology ; Heparin/metabolism ; Binding Sites
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Modelling ligand depletion for simultaneous affinity and binding site quantification on cells and tissue.
Autorzy:
Weber J; 3B Pharmaceuticals GmbH, Berlin, Germany.
Djurberg K; Ridgeview Instruments AB, Uppsala, Sweden.
Lundsten Salomonsson S; Ridgeview Instruments AB, Uppsala, Sweden.; Department of Immunology, Genetics and Pathology, Uppsala University, Uppsala, Sweden.
Kamprath M; 3B Pharmaceuticals GmbH, Berlin, Germany.
Hoehne A; 3B Pharmaceuticals GmbH, Berlin, Germany.
Westin H; Ridgeview Instruments AB, Uppsala, Sweden.
Vergara F; 3B Pharmaceuticals GmbH, Berlin, Germany.
Bondza S; Ridgeview Instruments AB, Uppsala, Sweden. .; Department of Immunology, Genetics and Pathology, Uppsala University, Uppsala, Sweden. .
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Źródło:
Scientific reports [Sci Rep] 2023 Jun 20; Vol. 13 (1), pp. 10031. Date of Electronic Publication: 2023 Jun 20.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Antibodies*
Antigens*
Ligands ; Protein Binding ; Binding Sites ; Kinetics
Czasopismo naukowe
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