Results 51 to 60 of about 622,957 (315)

Crystal structures of two triazola-dioxola-benzenacyclononaphanes

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compounds, C25H29BrN5O7, (I) [systematic name: (Z)-15-bromo-32,32-dimethyl-21-nitro-22,23,25,26,27,27a,33a,35,36,36a-decahydro-21H,61H-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane],
Vijayan Viswanathan, Naga Siva Rao, Raghavachary Raghunathan, Devadasan Velmurugan   +3 more
doaj   +1 more source

Explainable machine learning for materials discovery: predicting the potentially formable Nd–Fe–B crystal structures and extracting the structure–stability relationship

IUCrJ, 2020
New Nd–Fe–B crystal structures can be formed via the elemental substitution of LA–T–X host structures, including lanthanides (LA), transition metals (T) and light elements, X = B, C, N and O.
Tien-Lam Pham, Duong-Nguyen Nguyen, Minh-Quyet Ha, Hiori Kino, Takashi Miyake, Hieu-Chi Dam   +5 more
doaj   +1 more source

Calpain small subunit homodimerization is robust and calcium‐independent

FEBS Letters, EarlyView.
Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy, Trina Dykstra‐MacPherson, Mathias A. Bell, Peter L. Davies, Ruby May A. Sullan   +4 more
wiley   +1 more source

Crystal structures of two 6-(2-hydroxybenzoyl)-5H-thiazolo[3,2-a]pyrimidin-5-ones

Acta Crystallographica Section E: Crystallographic Communications, 2015
The title compounds, 6-(2-hydroxybenzyl)-5H-thiazolo[3,2-a]pyrimidin-5-one, C13H8N2O3S, (1), and 6-(2-hydroxybenzyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one, C14H10N2O3S, (2), were synthesized when a chromone-3-carboxylic acid, activated with ...
Ligia R. Gomes, John Nicolson Low, Fernando Cagide, Fernanda Borges   +3 more
doaj   +1 more source

Building crystal structures of conjugated polymers through X‐ray diffraction and molecular modeling

SmartMat, 2021
Crystal structure of conjugated molecules and polymers is fundamentally critical to understand their multilevel microstructures, carrier transport, and diverse functions. However, to determine the crystal structure of conjugated polymers is a significant
Ze‐Fan Yao, Qi‐Yi Li, Hao‐Tian Wu, Yi‐Fan Ding, Zi‐Yuan Wang, Yang Lu, Jie‐Yu Wang, Jian Pei   +7 more
doaj   +1 more source

Crystal structure of pyriproxyfen [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2015
In the title compound {systematic name: 4-phenoxyphenyl (RS)-2-[(pyridin-2-yl)oxy]propyl ether}, C20H19NO3, which is a juvenile hormone mimic and insecticide, the dihedral angles between the plane of the central benene ring and those of the pendant pyridine ring and phenyl ring are 78.09 (6) and 82.14 (8)°, respectively. The conformation of the O—C—C—O
Gihaeng Kang, Jineun Kim, Hyunjin Park, Tae Ho Kim   +3 more
openaire   +3 more sources

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 N-phenyl-3-[2-(4′-chlorophenylthio)propanoyl]-2- Azetidinone, C18h16cino2s

, 2015
C18H16ClNO2S, monoclinic, P12 1/c1 (no. 14), a = 10.211(1) Å, b = 6.5258(9) Å, c = 24.334(3) Å, β = 90.279(9)°, V = 1621.5 Å3, Z = 4, Rgt(F) = 0.044, wRref(F2) = 0.112, T = 293 K.
Rittner R., Domingues N.L.C., Olivato P.R., Mondino M.G., Zukerman-Schpector J., Reis A.K.C.A., Lima F.S.   +6 more
core   +1 more source

The ubiquitin ligase RNF115 is required for the clearance of damaged lysosomes

FEBS Letters, EarlyView.
Upon lysosomal rupture, an E3 ubiquitin ligase RNF115 translocates from the cytosol to the damaged lysosomal membrane. Moreover, RNF115 depletion impairs the clearance of damaged lysosomes, identifying it as a key regulator of lysosomal quality control.
Sae Nakanaga, Toshiki Takahashi, Akiko Kuma, Hiroyuki Kawahara   +3 more
wiley   +1 more source

Crystal structures of diiodido-3-((pyridin-2-ylmethylene)amino)-2-(pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one-cadmium(II)

Zeitschrift für Kristallographie - New Crystal Structures
C19H13CdI2N5O, triclinic, P 1‾ $\overline{1}$ (no. 2), a = 9.0045(7) Å, b = 9.6113(8) Å, c = 13.1285(12) Å, α = 80.395(3)°, β = 79.861(3)°, γ = 80.512(3)°, V = 1091.99(16) Å3, Z = 2, R gt(F) = 0.0544, wR ref(F 2) = 0.1446, T = 273 K.
Chen Honglin, Xiong Ying
doaj   +1 more source