Chao-Sheng Chen et al.: Structure of the bacteriophage PhiKZ non-virion RNA polymerase bound to a p119L open promoter analogue ##CryoEM@imperialcollege@telavivuni1...##IUCrhttps://journals.iucr.org/paper?S2052252525009273
Structure of the bacteriophage PhiKZ non-virion RNA polymerase bound to a p119L open promoter analogue
Bacteriophage ΦKZ is a massive bacterial virus with potential as a therapy for Pseudomonas aeruginosa, which forms a bacteriophage nucleus in infected cells to exclude the host immune system, and transcribes its genes with its own, non-canonical multi-subunit RNA polymerase. The structure of this polymerase in the process of binding an analogue of its cognate promoter is resolved, revealing an unanticipated method of promoter consensus recognition involving the β-like, rather than the σ-factor-like subunit.
journals.iucr.org
November 11, 2025 at 1:00 AM
Chao-Sheng Chen et al.: Structure of the bacteriophage PhiKZ non-virion RNA polymerase bound to a p119L open promoter analogue ##CryoEM@imperialcollege@telavivuni1...##IUCrhttps://journals.iucr.org/paper?S2052252525009273
Juyeon Lee et al.: Structural insights into the antiviral efficacy of AG7404 against human rhinovirus 3C proteases ##3CProteases##Rhinovirus##AntiviralAgents@snunow...##IUCrhttps://journals.iucr.org/paper?S2052252525008929
Structural insights into the antiviral efficacy of AG7404 against human rhinovirus 3C proteases
This study presents the crystal structure of human rhinovirus (hRV)-B14 3C protease bound to AG7404, a broad-spectrum antiviral inhibitor, at a resolution of 2.11 Å. Antiviral assays and in silico studies provide structural insights into AG7404's efficacy and binding mechanism against hRV-B14, hRV-A16 and hRV-A21 3C proteases.
journals.iucr.org
November 11, 2025 at 1:00 AM
Juyeon Lee et al.: Structural insights into the antiviral efficacy of AG7404 against human rhinovirus 3C proteases ##3CProteases##Rhinovirus##AntiviralAgents@snunow...##IUCrhttps://journals.iucr.org/paper?S2052252525008929
Mardiana et al.: Weak hydrogen bonding in the structures of three double-acylated aminoantipyrines ##CrystalStructure##Arylation##CrystalPacking... ##IUCrhttps://journals.iucr.org/paper?S2053229625009581
Weak hydrogen bonding in the structures of three double-acylated aminoantipyrines
The structures of three doubly-acylated 4-aminoantipyrine compounds where the aryl substituent is varied are reported and analysed in terms of their relative conformation, intermolecular interactions and overall packing. The compounds were crystallized using the encapsulated nanodroplet crystallization (ENaCt) protocol.
journals.iucr.org
November 11, 2025 at 1:00 AM
Mardiana et al.: Weak hydrogen bonding in the structures of three double-acylated aminoantipyrines ##CrystalStructure##Arylation##CrystalPacking... ##IUCrhttps://journals.iucr.org/paper?S2053229625009581
B. M. Parveen Beebeejaun-Boodoo: Effect of the size of halide ligands on the crystal structures of halide-bibridged polymers of HgX2 with 4-ethylpyridine ##HalideBibridgedPolymers##CrystalStructure... ##IUCrhttps://journals.iucr.org/paper?S2053229625009702
Effect of the size of halide ligands on the crystal structures of halide-bibridged polymers of HgX2 with 4-ethylpyridine
Three pyridine-based halide-bibridged polymers have been synthesized and their structures determined. The effect of the size of the halides on the crystal structures has been investigated.
journals.iucr.org
November 11, 2025 at 1:00 AM
B. M. Parveen Beebeejaun-Boodoo: Effect of the size of halide ligands on the crystal structures of halide-bibridged polymers of HgX2 with 4-ethylpyridine ##HalideBibridgedPolymers##CrystalStructure... ##IUCrhttps://journals.iucr.org/paper?S2053229625009702
Zamisa et al.: Structural insights into transition-metal–aminodiphosphine (PNP) complexes bearing [MCln(PNP)2] (M = Co, Ru, Cr or Mo; n = 1 or 2) cores in the solid state ##CrystalStructures... ##IUCrhttps://journals.iucr.org/paper?S2053229625009519
Structural insights into transition-metal–aminodiphosphine (PNP) complexes bearing [MCln(PNP)2] (M = Co, Ru, Cr or Mo; n = 1 or 2) cores in the solid state
The molecular structures of two novel cobalt aminodiphosphine (PNP) complexes are reported, featuring variation in the N-atom substituent. A Cambridge Structural Database (CSD) survey, along with a noncovalent interaction (NCI) analysis of the analogous [TMCln(PNP)2] (where TM = transition metal and n = 1 or 2) core, revealed an inverse correlation between the P—TM—P bite angles and N⋯TM contact distances.
journals.iucr.org
November 11, 2025 at 1:00 AM
Zamisa et al.: Structural insights into transition-metal–aminodiphosphine (PNP) complexes bearing [MCln(PNP)2] (M = Co, Ru, Cr or Mo; n = 1 or 2) cores in the solid state ##CrystalStructures... ##IUCrhttps://journals.iucr.org/paper?S2053229625009519
Jan-Hannes Schäfer et al.: CryoSift: an accessible and automated CNN-driven tool for cryo-EM 2D class selection ##Automation##DataProcessing##CryoEM@umich...##IUCrhttps://journals.iucr.org/paper?S2053230X25008866
CryoSift: an accessible and automated CNN-driven tool for cryo-EM 2D class selection
CryoSift is a CNN-based tool that assesses the quality of 2D class averages. The incorporation of CryoSift into cryoSPARC workflows enables automated particle-stack cleaning.
journals.iucr.org
November 8, 2025 at 1:00 AM
Jan-Hannes Schäfer et al.: CryoSift: an accessible and automated CNN-driven tool for cryo-EM 2D class selection ##Automation##DataProcessing##CryoEM@umich...##IUCrhttps://journals.iucr.org/paper?S2053230X25008866
Thierry Prangé et al.: The glycolipid flocculosin-A from the fungus Anthracocystis flocculosa, or how to deal with cotton-wool-like crystals ##FlocculosinA##AnthracocystisFlocculosa##Fungus... ##IUCrhttps://journals.iucr.org/paper?S2052520625008583
The glycolipid flocculosin-A from the fungus Anthracocystis flocculosa, or how to deal with cotton-wool-like crystals
Crystals of flocculosin-A, the major antifungus compound from Anthracocystis flocculosa, are optimised using a cyclic temperature control.
journals.iucr.org
November 8, 2025 at 1:00 AM
Thierry Prangé et al.: The glycolipid flocculosin-A from the fungus Anthracocystis flocculosa, or how to deal with cotton-wool-like crystals ##FlocculosinA##AnthracocystisFlocculosa##Fungus... ##IUCrhttps://journals.iucr.org/paper?S2052520625008583
Monika Wanat et al.: DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures ##Calixarenes##Solvates##Crystallization... ##IUCrhttps://journals.iucr.org/paper?S2052520625008625
DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures
This study highlights how solvent properties, host–guest interaction energies and packing preferences govern the solid-state organization of tert-butylcalix[6]arene, a macrocycle of importance in separation, molecular recognition and supramolecular chemistry.
journals.iucr.org
November 8, 2025 at 1:00 AM
Monika Wanat et al.: DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures ##Calixarenes##Solvates##Crystallization... ##IUCrhttps://journals.iucr.org/paper?S2052520625008625
Angel-Nieto et al.: N,N′-Bis[tris(hydroxymethyl)methyl]propane-1,3-diamine (bis-tris propane) ##CrystalStructure##SupramolecularStructure##HydrogenBonds... ##IUCrhttps://journals.iucr.org/paper?S241431462500954X
N,N′-Bis[tris(hydroxymethyl)methyl]propane-1,3-diamine (bis-tris propane)
The crystal structure of a reagent frequently used for the preparation of buffer solutions is reported, showing that the molecule lies on a crystallographic mirror plane, and has a bent conformation.
journals.iucr.org
November 7, 2025 at 1:01 AM
Angel-Nieto et al.: N,N′-Bis[tris(hydroxymethyl)methyl]propane-1,3-diamine (bis-tris propane) ##CrystalStructure##SupramolecularStructure##HydrogenBonds... ##IUCrhttps://journals.iucr.org/paper?S241431462500954X
Grobbelaar et al.: Methyl 4,6-O-benzylidene-α-d-glucopyranoside monohydrate ##Glucopyranose##CrystalStructure##HydrogenBonds... ##IUCrhttps://journals.iucr.org/paper?S2414314625009472
Methyl 4,6-O-benzylidene-α-d-glucopyranoside monohydrate
The title compound is a hydrated, partially protected derivative of d-glucopyranose. Intermolecular interactions connect the entities of the asymmetric unit to a three-dimensional network.
journals.iucr.org
November 7, 2025 at 1:01 AM
Grobbelaar et al.: Methyl 4,6-O-benzylidene-α-d-glucopyranoside monohydrate ##Glucopyranose##CrystalStructure##HydrogenBonds... ##IUCrhttps://journals.iucr.org/paper?S2414314625009472
Elgemeie et al.: (E)-2,4-Diamino-5-{7-[(4-chlorophenyl)diazenyl]-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl}-6-oxo-1,6-dihydropyridine-3-carbonitrile dimethylformamide disolvate ##HydrogenBond... ##IUCrhttps://journals.iucr.org/paper?S2414314625009393
(E)-2,4-Diamino-5-{7-[(4-chlorophenyl)diazenyl]-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl}-6-oxo-1,6-dihydropyridine-3-carbonitrile dimethylformamide disolvate
In the title compound, much of the molecule (excluding the pyridinic ring) is approximately planar. In the extended structure, various hydrogen bonds combine to form a layer structure parallel to (111).
journals.iucr.org
November 7, 2025 at 1:00 AM
Elgemeie et al.: (E)-2,4-Diamino-5-{7-[(4-chlorophenyl)diazenyl]-3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl}-6-oxo-1,6-dihydropyridine-3-carbonitrile dimethylformamide disolvate ##HydrogenBond... ##IUCrhttps://journals.iucr.org/paper?S2414314625009393
Yuhei Sasaki et al.: Broadband high-resolution X-ray ptychography system spanning tender to hard X-ray regimes @TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR...##IUCrhttps://journals.iucr.org/paper?S2052252525009236
Broadband high-resolution X-ray ptychography system spanning tender to hard X-ray regimes
An advanced X-ray ptychography system has been developed that facilitates nanoscale imaging across both tender and hard X-ray regions using a single optical setup.
journals.iucr.org
November 7, 2025 at 1:00 AM
Yuhei Sasaki et al.: Broadband high-resolution X-ray ptychography system spanning tender to hard X-ray regimes @TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR@TohokuUniPR...##IUCrhttps://journals.iucr.org/paper?S2052252525009236
Hénaff et al.: A lanthanum coordination polymer with 3,6-dichlorophthalate and 2,4-dichloro-6-(ethoxycarbonyl)benzoate as ligands ##CrystalStructure##Lanthanum##Dichlorophthalate... ##IUCrhttps://journals.iucr.org/paper?S2056989025009508
A lanthanum coordination polymer with 3,6-dichlorophthalate and 2,4-dichloro-6-(ethoxycarbonyl)benzoate as ligands
A one-dimensional lanthanum coordination polymer based on 3,6-dichlorophthalate has been prepared by microwaves-assisted synthesis and structurally described.
journals.iucr.org
November 7, 2025 at 1:00 AM
Hénaff et al.: A lanthanum coordination polymer with 3,6-dichlorophthalate and 2,4-dichloro-6-(ethoxycarbonyl)benzoate as ligands ##CrystalStructure##Lanthanum##Dichlorophthalate... ##IUCrhttps://journals.iucr.org/paper?S2056989025009508
Ryan Griffiths et al.: A structural basis for the strain-dependent UDP-sugar specificity of glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system ##CrystalStructure@uniofeastanglia...##IUCrhttps://journals.iucr.org/paper?S2059798325008782
A structural basis for the strain-dependent UDP-sugar specificity of glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system
X-ray crystal structures of glycosyltransferase C from the Limosilactobacillus reuteri 100-23 (LrGtfC100-23) accessory secretion system were determined in its apo form and in complexes with UDP and with UDP-N-acetylglucosamine, which revealed candidate residues involved in strain-specific recognition of UDP-sugars. Site-directed mutagenesis of these residues led to a switch of the UDP-sugar binding specificities of LrGtfC100-23 and the highly homologous LrGtfC from L. reuteri ATCC 53608.
journals.iucr.org
November 6, 2025 at 1:00 AM
Ryan Griffiths et al.: A structural basis for the strain-dependent UDP-sugar specificity of glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system ##CrystalStructure@uniofeastanglia...##IUCrhttps://journals.iucr.org/paper?S2059798325008782
November issue @actacrystc.iucr.org The cover article reports the applicability of Hirshfeld atom refinement for establishing the nature of chemical bonding #ChemistryUW #UniWarszawski #UW #Hirshfeld #HAR #TAAM #quinone #quantumcrystallography #IUCr #crystallography journals.iucr.org/c/issues/202...
November 5, 2025 at 10:29 AM
November issue @actacrystc.iucr.org The cover article reports the applicability of Hirshfeld atom refinement for establishing the nature of chemical bonding #ChemistryUW #UniWarszawski #UW #Hirshfeld #HAR #TAAM #quinone #quantumcrystallography #IUCr #crystallography journals.iucr.org/c/issues/202...
David Obersteiner et al.: Advancing small-angle X-ray scattering for complex metallic systems: Ti2Cu precipitation in a martensitic near-α Ti alloy ##PrecipitationKinetics##TitaniumAlloys@unsw@unsw...##IUCrhttps://journals.iucr.org/paper?S1600576725008489
Advancing small-angle X-ray scattering for complex metallic systems: Ti2Cu precipitation in a martensitic near-α Ti alloy
A novel small-angle X-ray scattering modelling approach is introduced for the analysis of precipitation behaviour in metallic systems exhibiting scattering signals with streaks originating from the embedding matrix. This approach enables in situ tracking of the microstructural evolution, such as the volume fraction and size of second phases, during continuous heating, and it is showcased for a near-α Ti alloy.
journals.iucr.org
November 5, 2025 at 1:00 AM
David Obersteiner et al.: Advancing small-angle X-ray scattering for complex metallic systems: Ti2Cu precipitation in a martensitic near-α Ti alloy ##PrecipitationKinetics##TitaniumAlloys@unsw@unsw...##IUCrhttps://journals.iucr.org/paper?S1600576725008489
Celebrate the power of scientific data at IUCr!
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
November 4, 2025 at 4:30 AM
Celebrate the power of scientific data at IUCr!
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
Celebrate the power of scientific data at IUCr!
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
November 3, 2025 at 4:30 PM
Celebrate the power of scientific data at IUCr!
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
CommDat symposia will explore integrative structural chemistry and biology; best practices for data processing; global open science; and ML for materials development
Join us in Calgary:
event.fourwaves.com/...
Yamamura et al.: 4,4′-(Acridine-2,7-diyl)bis(2-methylbut-3-yn-2-ol) ##Acridine##Stacking##HydrogenBond... ##IUCrhttps://journals.iucr.org/paper?S2414314625009150
4,4′-(Acridine-2,7-diyl)bis(2-methylbut-3-yn-2-ol)
The title acridine derivative, which has two 2-methylbut-3-yn-2-ol moieties at the 2,7-positions, was synthesized by Sonogashira coupling reaction. In crystal, a columnar structure is formed by the π–π stacking of acridine units. The 2-methylbut-3-yn-2-ol moieties form intermolecular hydrogen bonds.
journals.iucr.org
November 1, 2025 at 1:00 AM
Yamamura et al.: 4,4′-(Acridine-2,7-diyl)bis(2-methylbut-3-yn-2-ol) ##Acridine##Stacking##HydrogenBond... ##IUCrhttps://journals.iucr.org/paper?S2414314625009150
Hättasch et al.: Crystal structure and Hirshfeld surface analysis of lithium chloride and lithium bromide with dimethyl ether ligands ##CrystalStructure##LithiumChloride##LithiumBromide... ##IUCrhttps://journals.iucr.org/paper?S2056989025009119
Crystal structure and Hirshfeld surface analysis of lithium chloride and lithium bromide with dimethyl ether ligands
The lithium halide dimethyl ether (DME) adducts [Li2Cl2(DME)4] and [Li2Br2(DME)4] form dimeric units linked into layers by CH3⋯Cl tetrel bonds or CH3⋯CH3, CH3⋯O and CH3⋯Br contacts, illustrating the coordination ability of dimethyl ether and its role in directing supramolecular assembly.
journals.iucr.org
November 1, 2025 at 1:00 AM
Hättasch et al.: Crystal structure and Hirshfeld surface analysis of lithium chloride and lithium bromide with dimethyl ether ligands ##CrystalStructure##LithiumChloride##LithiumBromide... ##IUCrhttps://journals.iucr.org/paper?S2056989025009119
Matsushima et al.: Crystal structures of the silver iodide sulfates Ag3ISO4 and Ag4I2SO4 ##SilverIodideSulfate##IonicConductivity##AgAgInteraction... ##IUCrhttps://journals.iucr.org/paper?S2056989025008898
Crystal structures of the silver iodide sulfates Ag3ISO4 and Ag4I2SO4
The two compounds Ag3ISO4 and Ag4I2SO4, comprising Ag and I atoms and SO4 tetrahedra, exhibit characteristic silver arrangements, with Ag3ISO4 containing triangularly arranged Ag atoms in zigzag ladder chains along the a-axis direction and Ag4I2SO4 featuring discrete Ag4 clusters.
journals.iucr.org
November 1, 2025 at 1:00 AM
Matsushima et al.: Crystal structures of the silver iodide sulfates Ag3ISO4 and Ag4I2SO4 ##SilverIodideSulfate##IonicConductivity##AgAgInteraction... ##IUCrhttps://journals.iucr.org/paper?S2056989025008898
It sure would be ... scary to miss any deadlines for #IUCr2026
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October 31, 2025 at 9:30 PM
It sure would be ... scary to miss any deadlines for #IUCr2026
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It sure would be ... scary to miss any deadlines for #IUCr2026
Abstracts are due February 15, 2026:
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October 31, 2025 at 1:30 PM
It sure would be ... scary to miss any deadlines for #IUCr2026
Abstracts are due February 15, 2026:
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Bhattacharyya, Kvashnina and Yabashi: Journal of Synchrotron Radiation welcomes seven new Co-editors ##CoEditors##SynchrotronRadiation##FreeElectronLasers@fz_juelich@EuropeanXFEL@desy@esrfsynchrotron@postech2020...##IUCrhttps://journals.iucr.org/paper?S1600577525009361
Journal of Synchrotron Radiation welcomes seven new Co-editors
The newest seven members of the Editorial Board of Journal of Synchrotron Radiation are introduced.
journals.iucr.org
October 31, 2025 at 1:00 AM
Bhattacharyya, Kvashnina and Yabashi: Journal of Synchrotron Radiation welcomes seven new Co-editors ##CoEditors##SynchrotronRadiation##FreeElectronLasers@fz_juelich@EuropeanXFEL@desy@esrfsynchrotron@postech2020...##IUCrhttps://journals.iucr.org/paper?S1600577525009361