Suchergebnisse - "Crystallography"

Small but mighty: the power of microcrystals in structural biology.

Autoren: Tremlett CJ Stubbs J Stuart WS et al.

Quelle: IUCrJ [IUCrJ] 2025 May 01; Vol. 12 (Pt 3), pp. 262-279. Date of Electronic Publication: 2025 May 01.

Publikationsart: Journal Article; Review

Info zur Zeitschrift: Publisher: International Union of Crystallography Country of Publication: England NLM ID: 101623101 Publication Model: Electronic Cited Medium: Internet ISSN: 2052-2525 (Electronic) Linking ISSN: 20522525 NLM ISO Abbreviation: IUCrJ Subsets: MEDLINE

MeSH-Schlagworte: Crystallography*/methods, Crystallization/methods ; Crystallography, X-Ray/methods

Making your raw data available to the macromolecular crystallography community.

Autoren: Kroon-Batenburg LMJ; Department of Chemistry, Structural Biochemistry, Bijvoet Center for Biomolecular Research, Faculty of Science, Utrecht University, Utrecht, The Netherlands.

Quelle: Acta crystallographica. Section F, Structural biology communications [Acta Crystallogr F Struct Biol Commun] 2023 Oct 01; Vol. 79 (Pt 10), pp. 267-273. Date of Electronic Publication: 2023 Sep 29.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: John Wiley & Sons Inc Country of Publication: United States NLM ID: 101620319 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2053-230X (Electronic) Linking ISSN: 2053230X NLM ISO Abbreviation: Acta Crystallogr F Struct Biol Commun Subsets: MEDLINE

MeSH-Schlagworte: Crystallography*, Crystallography, X-Ray ; Macromolecular Substances

Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution.

Autoren: Indergaard JA Mahmood K Gabriel L et al.

Quelle: IUCrJ [IUCrJ] 2025 May 01; Vol. 12 (Pt 3), pp. 372-383. Date of Electronic Publication: 2025 May 01.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: International Union of Crystallography Country of Publication: England NLM ID: 101623101 Publication Model: Electronic Cited Medium: Internet ISSN: 2052-2525 (Electronic) Linking ISSN: 20522525 NLM ISO Abbreviation: IUCrJ Subsets: MEDLINE

MeSH-Schlagworte: Crystallography, X-Ray*/instrumentation , Crystallography, X-Ray*/methods, Muramidase/chemistry ; Synchrotrons/instrumentation ; Time Factors

Introduction to the virtual thematic issue on room-temperature biological crystallography.

Autoren: Steiner RA; King's College London, New Hunt's House - Guy's Campus, London SE1 1UL, United Kingdom.

Quelle: Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2023 Apr 01; Vol. 79 (Pt 4), pp. 268-270. Date of Electronic Publication: 2023 Mar 31.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2059-7983 (Electronic) Linking ISSN: 20597983 NLM ISO Abbreviation: Acta Crystallogr D Struct Biol Subsets: MEDLINE

MeSH-Schlagworte: Crystallography*, Temperature ; Crystallography, X-Ray

Binding-Site Purification of Actives (B-SPA) Enables Efficient Large-Scale Progression of Fragment Hits by Combining Multi-Step Array Synthesis With HT Crystallography.

Autoren: Grosjean H Aimon A Hassell-Hart S et al.

Quelle: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2025 Apr 11; Vol. 64 (16), pp. e202424373. Date of Electronic Publication: 2025 Mar 18.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 0370543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3773 (Electronic) Linking ISSN: 14337851 NLM ISO Abbreviation: Angew Chem Int Ed Engl Subsets: MEDLINE

MeSH-Schlagworte: Binding Sites* , Crystallography, X-Ray*, Ligands

Improving experimental reproducibility through comprehensive research protocols.

Autoren: Novak I; University of Split, School of Medicine, Croatia.

Quelle: FEBS open bio [FEBS Open Bio] 2025 Apr; Vol. 15 (4), pp. 530-531.

Publikationsart: Editorial

Info zur Zeitschrift: Publisher: John Wiley & Sons Ltd Country of Publication: England NLM ID: 101580716 Publication Model: Print Cited Medium: Internet ISSN: 2211-5463 (Electronic) Linking ISSN: 22115463 NLM ISO Abbreviation: FEBS Open Bio Subsets: MEDLINE

MeSH-Schlagworte: Crystallography, X-Ray*/methods, Reproducibility of Results

Machine learning workflow for analysis of high-dimensional order parameter space: A case study of polymer crystallization from molecular dynamics simulations.

Autoren: Tourani, Elyar Edwards, Brian J. Khomami, Bamin

Quelle: Journal of Chemical Physics. 10/28/2025, Vol. 163 Issue 16, p1-17. 17p.

Schlagwörter: *POLYMER crystallography, *MOLECULAR dynamics, *MACHINE learning, *WORKFLOW management, *LOGISTIC regression analysis

Unveiling anisotropic and nonlinear electronic stopping in diamond under hydrogen irradiation: A real-time TDDFT study.

Autoren: Gao, Junze Li, Yi Han, Jinsen et al.

Quelle: Journal of Chemical Physics. 10/21/2025, Vol. 163 Issue 15, p1-9. 9p.

Schlagwörter: *ANISOTROPY, *CRYSTALLOGRAPHY, *ELECTRONS, *DELOCALIZATION energy, *MICROSCOPY, *OPTICS

Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.

Autoren: Xiao Q Tang J Shu H et al.

Quelle: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 05; Vol. 299, pp. 118048. Date of Electronic Publication: 2025 Aug 07.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH-Schlagworte: Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/chemical synthesis , NIMA-Interacting Peptidylprolyl Isomerase*/antagonists & inhibitors , NIMA-Interacting Peptidylprolyl Isomerase*/metabolism , NIMA-Interacting Peptidylprolyl Isomerase*/chemistry , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology, Humans ; Crystallography, X-Ray ; Dose-Response Relationship, Drug ; Models, Molecular ; Molecular Structure ; Structure-Activity Relationship ; Cystine/chemistry ; Cystine/metabolism

Initial leads to combat streptogramin resistance generated from X-ray fragment screening against VatD.

Autoren: Asthana P Lee S MacDonald CM et al.

Quelle: Structure (London, England : 1993) [Structure] 2025 Dec 04; Vol. 33 (12), pp. 2071-2083.e3. Date of Electronic Publication: 2025 Sep 12.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Cell Press Country of Publication: United States NLM ID: 101087697 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1878-4186 (Electronic) Linking ISSN: 09692126 NLM ISO Abbreviation: Structure Subsets: MEDLINE

MeSH-Schlagworte: Anti-Bacterial Agents*/pharmacology , Anti-Bacterial Agents*/chemistry , Bacterial Proteins*/chemistry , Bacterial Proteins*/antagonists & inhibitors , Bacterial Proteins*/metabolism , Acetyltransferases*/chemistry , Acetyltransferases*/antagonists & inhibitors , Acetyltransferases*/metabolism , Streptogramins*/pharmacology , Streptogramins*/chemistry , Drug Resistance, Bacterial*/drug effects, Crystallography, X-Ray ; Binding Sites ; Protein Binding ; Models, Molecular

Molecular basis of DNA recognition by the HMG-box-C1 module of capicua.

Autoren: Webb J Liew JJM Gnann AD et al.

Quelle: Structure (London, England : 1993) [Structure] 2025 Dec 04; Vol. 33 (12), pp. 2109-2121.e5. Date of Electronic Publication: 2025 Sep 17.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Cell Press Country of Publication: United States NLM ID: 101087697 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1878-4186 (Electronic) Linking ISSN: 09692126 NLM ISO Abbreviation: Structure Subsets: MEDLINE

MeSH-Schlagworte: DNA*/chemistry , DNA*/metabolism , Repressor Proteins*/chemistry , Repressor Proteins*/metabolism , Repressor Proteins*/genetics, Humans ; Protein Binding ; Binding Sites ; Molecular Dynamics Simulation ; Crystallography, X-Ray ; HMG-Box Domains ; Protein Domains ; Mutation ; Nucleic Acid Conformation

Solvent and Catalyst-Free One-Pot Synthesis of Tetrahydropyrimidine Analogs for Their Larvicidal Activity and Structural Insights.

Autoren: Bairagi KM Chandrashekharappa S Thakur JS et al.

Quelle: Archiv der Pharmazie [Arch Pharm (Weinheim)] 2025 Dec; Vol. 358 (12), pp. e70162.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Wiley-VCH Verlag GmbH & Co. KGaA Country of Publication: Germany NLM ID: 0330167 Publication Model: Print Cited Medium: Internet ISSN: 1521-4184 (Electronic) Linking ISSN: 03656233 NLM ISO Abbreviation: Arch Pharm (Weinheim) Subsets: MEDLINE

MeSH-Schlagworte: Insecticides*/chemical synthesis , Insecticides*/pharmacology , Insecticides*/chemistry , Pyrimidines*/chemical synthesis , Pyrimidines*/pharmacology , Pyrimidines*/chemistry , Anopheles*/drug effects , Anopheles*/growth & development, Animals ; Structure-Activity Relationship ; Molecular Structure ; Larva/drug effects ; Crystallography, X-Ray ; Solvents/chemistry ; Models, Molecular ; Dose-Response Relationship, Drug

Structural and functional characterization of a metagenomically derived γ-type carbonic anhydrase and its engineering into a hyperthermostable esterase.

Autoren: Bodourian CS Imran M Georgakis ND et al.

Quelle: Protein science : a publication of the Protein Society [Protein Sci] 2025 Dec; Vol. 34 (12), pp. e70396.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Cold Spring Harbor Laboratory Press Country of Publication: United States NLM ID: 9211750 Publication Model: Print Cited Medium: Internet ISSN: 1469-896X (Electronic) Linking ISSN: 09618368 NLM ISO Abbreviation: Protein Sci Subsets: MEDLINE

MeSH-Schlagworte: Carbonic Anhydrases*/chemistry , Carbonic Anhydrases*/genetics , Carbonic Anhydrases*/metabolism , Esterases*/chemistry , Esterases*/metabolism , Esterases*/genetics, Crystallography, X-Ray ; Enzyme Stability ; Models, Molecular ; Protein Engineering ; Amino Acid Sequence ; Escherichia coli/genetics ; Molecular Sequence Data

Hydrogen density mapping in biomolecular crystals through dynamic nuclear polarization.

Autoren: Begam K Morgan Z Myles DAA et al.

Quelle: Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2025 Dec 01; Vol. 81 (Pt 12), pp. 758-768. Date of Electronic Publication: 2025 Nov 25.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2059-7983 (Electronic) Linking ISSN: 20597983 NLM ISO Abbreviation: Acta Crystallogr D Struct Biol Subsets: MEDLINE

MeSH-Schlagworte: Hydrogen*/chemistry , Neutron Diffraction*/methods , Proteins*/chemistry, Crystallography, X-Ray/methods ; Algorithms ; Hydrogen Bonding ; Models, Molecular

Completion of partial structures using Patterson maps with the CrysFormer machine-learning model.

Autoren: Pan T Dramko E Miller MD et al.

Quelle: Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2025 Dec 01; Vol. 81 (Pt 12), pp. 668-677. Date of Electronic Publication: 2025 Nov 25.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: John Wiley & Sons Country of Publication: United States NLM ID: 101676043 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2059-7983 (Electronic) Linking ISSN: 20597983 NLM ISO Abbreviation: Acta Crystallogr D Struct Biol Subsets: MEDLINE

MeSH-Schlagworte: Proteins*/chemistry , Machine Learning*, Crystallography, X-Ray/methods ; Models, Molecular ; Protein Conformation ; Databases, Protein ; Deep Learning

Crystal structures of PF1765 from Pyrococcus furiosus from several different crystallization conditions with varied pH, salt and precipitant.

Autoren: Gaikwad SS Yadav B Sharma S et al.

Quelle: Acta crystallographica. Section F, Structural biology communications [Acta Crystallogr F Struct Biol Commun] 2025 Dec 01; Vol. 81 (Pt 12), pp. 505-516. Date of Electronic Publication: 2025 Nov 17.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: John Wiley & Sons Inc Country of Publication: United States NLM ID: 101620319 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2053-230X (Electronic) Linking ISSN: 2053230X NLM ISO Abbreviation: Acta Crystallogr F Struct Biol Commun Subsets: MEDLINE

MeSH-Schlagworte: Pyrococcus furiosus*/chemistry , Pyrococcus furiosus*/metabolism , Archaeal Proteins*/chemistry , Archaeal Proteins*/genetics , Archaeal Proteins*/metabolism, Crystallization/methods ; Crystallography, X-Ray ; Hydrogen-Ion Concentration ; Models, Molecular ; Salts/chemistry ; Protein Conformation ; Gene Expression ; Amino Acid Sequence ; Escherichia coli/genetics ; Escherichia coli/metabolism ; Recombinant Proteins/chemistry ; Recombinant Proteins/genetics ; Recombinant Proteins/metabolism

Structural analysis of the tetrahydrobiopterin glucosyltransferase PsBGluT from Pseudanabaena sp. Chao 1811.

Autoren: Zang R Jiang Y Zhou CZ

Quelle: Acta crystallographica. Section F, Structural biology communications [Acta Crystallogr F Struct Biol Commun] 2025 Dec 01; Vol. 81 (Pt 12), pp. 495-504. Date of Electronic Publication: 2025 Nov 13.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: John Wiley & Sons Inc Country of Publication: United States NLM ID: 101620319 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2053-230X (Electronic) Linking ISSN: 2053230X NLM ISO Abbreviation: Acta Crystallogr F Struct Biol Commun Subsets: MEDLINE

MeSH-Schlagworte: Biopterins*/analogs & derivatives , Biopterins*/metabolism , Biopterins*/chemistry , Glucosyltransferases*/chemistry , Glucosyltransferases*/metabolism , Glucosyltransferases*/genetics , Cyanobacteria*/enzymology , Cyanobacteria*/chemistry , Bacterial Proteins*/chemistry , Bacterial Proteins*/metabolism , Bacterial Proteins*/genetics, Crystallography, X-Ray ; Molecular Docking Simulation ; Binding Sites ; Amino Acid Sequence ; Uridine Diphosphate Glucose/metabolism ; Uridine Diphosphate Glucose/chemistry ; Escherichia coli/metabolism ; Escherichia coli/genetics ; Cloning, Molecular ; Pterins/metabolism ; Pterins/chemistry ; Protein Multimerization ; Glycosylation ; Recombinant Proteins/metabolism ; Recombinant Proteins/genetics ; Recombinant Proteins/chemistry ; Protein Binding ; Gene Expression ; Catalytic Domain

The product of Ellman's reaction inhibits cholinesterases.

Autoren: Stojan J Brazzolotto X

Quelle: Protein science : a publication of the Protein Society [Protein Sci] 2025 Dec; Vol. 34 (12), pp. e70371.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Cold Spring Harbor Laboratory Press Country of Publication: United States NLM ID: 9211750 Publication Model: Print Cited Medium: Internet ISSN: 1469-896X (Electronic) Linking ISSN: 09618368 NLM ISO Abbreviation: Protein Sci Subsets: MEDLINE

MeSH-Schlagworte: Butyrylcholinesterase*/chemistry , Butyrylcholinesterase*/metabolism , Acetylcholinesterase*/chemistry , Acetylcholinesterase*/metabolism , Cholinesterase Inhibitors*/chemistry , Cholinesterase Inhibitors*/pharmacology , Thiocholine*/chemistry , Thiocholine*/metabolism, Humans ; Animals ; Mice ; Kinetics ; Electrophorus ; Catalytic Domain ; Crystallography, X-Ray ; Models, Molecular ; Torpedo

MHC I of the Great Reed Warbler Promotes a Flat Peptide Binding Mode.

Autoren: Venskutonytė R Kjellström S O'Connor EA et al.

Quelle: Immunology [Immunology] 2025 Dec; Vol. 176 (4), pp. 508-519. Date of Electronic Publication: 2025 Jul 11.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Blackwell Scientific Publications Country of Publication: England NLM ID: 0374672 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1365-2567 (Electronic) Linking ISSN: 00192805 NLM ISO Abbreviation: Immunology Subsets: MEDLINE

MeSH-Schlagworte: Histocompatibility Antigens Class I*/chemistry , Histocompatibility Antigens Class I*/immunology , Histocompatibility Antigens Class I*/genetics , Histocompatibility Antigens Class I*/metabolism , Songbirds*/immunology , Songbirds*/genetics , Peptides*/immunology , Peptides*/metabolism , Peptides*/chemistry , Avian Proteins*/chemistry , Avian Proteins*/immunology , Avian Proteins*/genetics , Avian Proteins*/metabolism, Animals ; Protein Binding ; Antigen Presentation/immunology ; Crystallography, X-Ray ; Models, Molecular ; Amino Acid Sequence ; Binding Sites ; Protein Conformation

Structural Mimicry Without Glyoxalase I Functional Convergence: A Homogentisate 1,2-Dioxygenase From Acinetobacter.

Autoren: Seo PW Hwangbo SA Kim JS et al.

Quelle: Proteins [Proteins] 2025 Dec; Vol. 93 (12), pp. 2150-2157. Date of Electronic Publication: 2025 Jul 12.

Publikationsart: Journal Article

Info zur Zeitschrift: Publisher: Wiley-Liss Country of Publication: United States NLM ID: 8700181 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1097-0134 (Electronic) Linking ISSN: 08873585 NLM ISO Abbreviation: Proteins Subsets: MEDLINE

MeSH-Schlagworte: Acinetobacter*/enzymology , Acinetobacter*/genetics , Acinetobacter*/chemistry , Bacterial Proteins*/chemistry , Bacterial Proteins*/metabolism , Bacterial Proteins*/genetics , Homogentisate 1,2-Dioxygenase*/chemistry , Homogentisate 1,2-Dioxygenase*/metabolism , Homogentisate 1,2-Dioxygenase*/genetics , Lactoylglutathione Lyase*/chemistry , Lactoylglutathione Lyase*/metabolism , Lactoylglutathione Lyase*/genetics, Substrate Specificity ; Catalytic Domain ; Crystallography, X-Ray ; Models, Molecular ; Mutagenesis, Site-Directed ; Zinc/chemistry ; Zinc/metabolism ; Protein Binding ; Iron/chemistry ; Iron/metabolism ; Recombinant Proteins/genetics ; Recombinant Proteins/chemistry ; Recombinant Proteins/metabolism ; Escherichia coli/genetics ; Escherichia coli/metabolism ; Amino Acid Sequence ; Gene Expression ; Binding Sites ; Protein Conformation