Results 41 to 50 of about 770,458 (344)

Conformational Plasticity of HLA-B27 Molecules Correlates Inversely With Efficiency of Negative T Cell Selection [PDF]

, 2020
The development of autoimmune disorders is incompletely understood. Inefficient thymic T cell selection against self-peptides presented by major histocompatibility antigens (HLA in humans) may contribute to the emergence of auto-reactive effector cells ...
Loll, Bernhard, Rückert, Christine, Uchanska-Ziegler, Barbara, Ziegler, Andreas   +3 more
core   +1 more source

Ethyl 4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Acta Crystallographica Section E, 2009
In the title compound, C14H15ClN2O2S, the tetrahydropyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C=C double bond of the six-membered tetrahydropyrimidine ring.
Susanta K. Nayak, K. N. Venugopala, Deepak Chopra, Thavendran Govender, Hendrik G. Kruger, Glenn E. M. Maguire, T. N. Guru Row   +6 more
doaj   +1 more source

Auto-Encoding Molecular Conformations

, 2021
In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent representation. We demonstrate that in this latent representation, similar conformations cluster together while distinct ...
Winter, Robin, Noé, Frank, Clevert, Djork-Arné   +2 more
openaire   +2 more sources

(3aS,9bR)-Methyl 1-methyl-3-phenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-3a-carboxylate

Acta Crystallographica Section E, 2008
In the title compound, C20H21NO3, the heterocyclic six-membered ring adopts a half-chair conformation and the pyrrolidine ring adopts an envelope conformation. The molecular conformation is stabilized by C—H...O and C—H...N interactions.
R. Raghunathan, E. Ramesh, L. Sudha, E. Theboral Sugi Kamala, S. Nirmala   +4 more
doaj   +1 more source

Gating mechanism of elongating β-ketoacyl-ACP synthases. [PDF]

, 2020
Carbon-carbon bond forming reactions are essential transformations in natural product biosynthesis. During de novo fatty acid and polyketide biosynthesis, β-ketoacyl-acyl carrier protein (ACP) synthases (KS), catalyze this process via a decarboxylative ...
Bartholow, Thomas G, Burkart, Michael D, Chen, Aochiu, Davis, Tony D, Kim, Woojoo E, La Clair, James J, McCammon, J Andrew, Mindrebo, Jeffrey T, Noel, Joseph P, Patel, Ashay   +9 more
core  

Direct Molecular Conformation Generation

, 2022
Molecular conformation generation aims to generate three-dimensional coordinates of all the atoms in a molecule and is an important task in bioinformatics and pharmacology. Previous methods usually first predict the interatomic distances, the gradients of interatomic distances or the local structures (e.g., torsion angles) of a molecule, and then ...
Zhu, Jinhua, Xia, Yingce, Liu, Chang, Wu, Lijun, Xie, Shufang, Wang, Yusong, Wang, Tong, Qin, Tao, Zhou, Wengang, Li, Houqiang, Liu, Haiguang, Liu, Tie-Yan   +11 more
openaire   +2 more sources

A dual fluorescent-Raman bioorthogonal probe for specific biosynthetic labeling of intracellular gangliosides

Communications Chemistry
Gangliosides are sialic acid-containing glycosphingolipids integral to the cell membrane, and they are particularly abundant in the nervous system.
Mana Mohan Mukherjee, Matthew D. Watson, Devin Biesbrock, Lara K. Abramowitz, Steven K. Drake, Jennifer C. Lee, John A. Hanover   +6 more
doaj   +1 more source

Molecular Properties of Water-Unextractable Proteoglycans from Hypsizygus marmoreus and Their in Vitro Immunomodulatory Activities

Molecules, 2011
Four proteoglycans were sequentially extracted from Hypsizygus marmoreus using 0.1 M NaOH (alkali-soluble proteoglycans [F1] and alkali-insoluble proteoglycans [F3]) and 0.1 M HCl (acid-soluble proteoglycans [F2] and acid-insoluble proteoglycans [F4 ...
Hee Mun Chae, Hong Hui Bao, Mehdi Tarbasa, Sang Guan You   +3 more
doaj   +1 more source

Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake [PDF]

, 2014
The colicin-like bacteriocins are potent protein antibiotics that have evolved to efficiently cross the outer membrane of Gram-negative bacteria by parasitizing nutrient uptake systems.
Adams, Barreteau, Barreteau, Barreteau, Barreteau, Bernadó, Brookes, Buchanan, Cascales, Chen, Clarke, Denayer, Devanathan, Durand, Elfarash, Emsley, Faraldo-Gomez, Fyfe, Grinter, Grinter, Grinter, Helbig, Housden, Housden, Incardona, Jakes, Kleanthous, Konarev, Laskowski, Lloyd, Loftus, Lukacik, McCoy, Michel-Briand, Murshudov, Noinaj, Noinaj, Patzer, Petoukhov, Rai, Rambo, Riley, Shirvanyants, Svergun, Svergun, Udho, Udho, Usher, Wandersman, Winn, Zeth   +50 more
core   +3 more sources

Effects of the Fluid Replacement Method During Online Hemodiafiltration on the Solute Removal Performance and Biocompatibility Using the Asymmetric Cellulose Triacetate Membrane

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Introduction Pre‐dilution online hemodiafiltration (Pre‐HDF) is predominantly used in Japan, whereas post‐dilution online HDF (Post‐HDF) is more common in Europe. An asymmetric cellulose triacetate (ATA) membrane may improve biocompatibility.
Kenji Sakurai, Yoshitaka Kurihara, Fumi Yamauchi, Hiromi Hosoya, Takeshi Saito   +4 more
wiley   +1 more source