Results 41 to 50 of about 469,634 (251)

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

tert-Butyl 2,3-dihydro-1H-cyclopenta[b]indole-4-carboxylate

IUCrData, 2016
In the title molecule, C16H19NO2, all the non-hydrogen atoms except two of the C atoms of the tert-butyl group lie on a crystallographic mirror plane. No classical hydrogen bonds are observed.
Jason A. Jordon, Jeanese C. Badenock, Gordon W. Gribble, Manpreet Kaur, Jerry P. Jasinski   +4 more
doaj   +1 more source

Tetrakis(pyridine-κN)palladium(II) bis(tetrafluoridoborate) [PDF]

, 2007
The title complex, [Pd(C5H5N)4](BF4)2, contains tetrapyridinepalladium(II) cations residing on crystallographic inversion centres. These are linked by weak C-H...F interactions (involving disordered BF4− anions) [range 2.988 (12)-3.431 (10) Å], together ...
Font-Bardia, Mercè, León Martín, Antonio de, Pons Picart, Josefina, Solans, Xavier,   +3 more
core   +2 more sources

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

FEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee, Dimitrios Bekiari, Sofia Doello, Karl Forchhammer   +3 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine

Acta Crystallographica Section E: Crystallographic Communications
In the title compound, C16H17BF2N2OSi, the molecular conformation is consolidated by an intramolecular C—H...O hydrogen bond, forming an S(6) motif. In the crystal, pairs of molecules are connected by C—H...π and π–π interactions [centroid-to-centroid ...
Dmitriy M. Shchevnikov, Alexandra G. Kutasevich, Victor N. Khrustalev, Narmina A. Guliyeva, Khudayar I. Hasanov, Mehmet Akkurt, Gizachew Mulugeta Manahelohe   +6 more
doaj   +1 more source

The planar cell polarity protein Vangl2 interacts with the PDZ‐domains of Scribble but not with a unique PDZ‐like domain in Inturned

FEBS Letters, EarlyView.
Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes, Jan Brysch, Carmen Gelze, Lilli Meier, Daniel Kümmel   +4 more
wiley   +1 more source

C-H...πarene, Csp³-H...O=C and O-H...O intermolecular interactions in (2R/2S)-3-(3-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid: a meta-tyrosine derivative [PDF]

, 1999
The title compound, C₁₇H₁₅NO₄, a DL-meta-tyrosine derivative forms a hydrogen-bonded network in the solid state which consists of Oacid--H... Ophenyl--H...O=Cisoindole chains [O...O 2.668 (2) and 2.653 (2)Å], Csp³--H ...O=Cacid [C...O 3.225 (3)Å] and
Gallagher, John F., Murphy, Carol
core   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Crystal structure of 2,5-dimethyl-3-(2-methylphenylsulfonyl)-1-benzofuran

Acta Crystallographica Section E, 2014
The title compound, C17H16O3S, crystallized with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the benzofuran ring system [r.m.s.
Hong Dae Choi, Uk Lee
doaj   +1 more source

Structural systematics of aryl-1,3-dithiane derivatives: crystal and energy-minimised structures, and Hirshfeld surface analysis [PDF]

, 2016
The crystal structure analysis of three aryl-1,3-dithiane derivatives, with aryl=4-methylphenyl (1), 4-chlorophenyl (2) and 2,4-dichlorophenyl (3), shows the three molecules to have very similar conformations, with the aryl ring lying on an approximate ...
Gozhina, Olga, Sousa Madureira, Lucas, Stefani, Hélio A., Tiekink, Edward R. T. *, Zukerman-Schpector, Julio   +4 more
core   +1 more source