Results 61 to 70 of about 20,494,608 (329)

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

Spontaneous resolution and crystal structure of (2S)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one; crystal structure of rac-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one

Acta Crystallographica Section E: Crystallographic Communications, 2018
The crystal structures of isomeric rac-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one (C16H14N2O3S) (1) and (2S)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one (C16H14N2O3S) (2) are reported here.
Hemant P. Yennawar, Heather G. Bradley, Kristen C. Perhonitch, Haley E. Reppert, Lee J. Silverberg   +4 more
doaj   +1 more source

Theory of Exciton Recombination from the Magnetically Induced Wigner Crystal

, 1996
We study the theory of itinerant-hole photoluminescence of two-dimensional electron systems in the regime of the magnetically induced Wigner crystal.
A. H. MacDonald, A. J. Shields, A. J. Turberfield, B. B. Goldberg, D. Heiman, D. Z. Liu, D. Z. Liu, E. M. Goldys, G. Finkelstein, H. A. Fertig, H. Buhmann, I. M. Ruzin, I. N. Harris, I. V. Kukushkin, I. V. Lerner, J. Zang, K. Kheng, L. D. Landau, L. P. Gor'kov, M. Dahl, N. A. Viet, N. R. Cooper, R. Cǒté, R. G. Clark, R. G. Clark, R. H. Morf, V. M. Apalkov, X. M. Chen   +27 more
core   +1 more source

Crystal structure prediction via particle-swarm optimization [PDF]

, 2010
We have developed a method for crystal structure prediction from ``scratch'' through particle-swarm optimization (PSO) algorithm within the evolutionary scheme.
Yanchao Wang, Jian Lv, Li Zhu, Yanming Ma   +3 more
semanticscholar   +1 more source

A methionine‐lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase

FEBS Letters, EarlyView.
This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel, Carl P. O. Helmer, Shani Zev, Ronja Driller, Emily Buhr, Markus Reinbold, Renana Schwartz, Gabriel Foley, Mikael Boden, Daniel Garbe, Gerhard Schenk, Dan Thomas Major, Bernhard Loll, Thomas Brück   +13 more
wiley   +1 more source

Crystal structure of binase does not reflect its native conformation

Учёные записки Казанского университета: Серия Естественные науки, 2018
Cytotoxic ribonucleases (RNases) of the T1 family, including binase, the secreted guanyl-preferring RNase of Bacillus pumilus, are considered as promising agents of alternative anticancer chemotherapy.
E.V. Dudkina, V.V. Ulyanova, Yu.V. Surchenko, N.T. Nguen, A.I. Kolpakov, O.N. Ilinskaya   +5 more
doaj  

Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)

Acta Crystallographica Section E: Crystallographic Communications
The crystal structures of two intermediates, 4-amino-3,5-difluorobenzonitrile, C7H4F2N2 (I), and ethyl 4-amino-3,5-difluorobenzoate, C9H9F2NO2 (II), along with a visible-light-responsive azobenzene derivative, diethyl 4,4′-(diazene-1,2-diyl)bis(3,5 ...
Egor M. Novikov, Jesus Guillen Campos, Javier Read de Alaniz, Marina S. Fonari, Tatiana V. Timofeeva   +4 more
doaj   +1 more source

Solution Structures of \u3cem\u3eMycobacterium tuberculosis\u3c/em\u3e Thioredoxin C and Models of Intact Thioredoxin System Suggest New Approaches to Inhibitor and Drug Design [PDF]

, 2013
Here, we report the NMR solution structures of Mycobacterium tuberculosis (M. tuberculosis) thioredoxin C in both oxidized and reduced states, with discussion of structural changes that occur in going between redox states.
Cai, Sheng, Neumann, Terrence S., Olson, Andrew Lawrence, Sem, Daniel S.   +3 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

5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

Acta Crystallographica Section E, 2014
In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluorophenyl ring is 28.53 (6)°.
Hong Dae Choi, Pil Ja Seo, Uk Lee
doaj   +1 more source