Development of homogeneous luminescence assays for histone demethylase catalysis and binding. by Kawamura, A, Tumber, A, Rose, N, King, O, Daniel, M, Oppermann, U, Heightman, T, Schofield, C

“…The assays should be useful for the development of small molecule inhibitors selective for HDM isoforms.…”

Extending electron orbital precession to the molecular case: Use of orbital alignment for observation of wavepacket dynamics by Martay, H, England, D, McCabe, D, Walmsley, I

“…If the molecule was to be excited to only a single fine-structure state, then a low-frequency oscillation in the internuclear separation would be detectable through the time-dependent ionization cross section, giving a mechanism that would enable observation of coherent vibrational motion in this molecule. © 2011 American Physical Society.…”

SLAM is a microbial sensor that regulates bacterial phagosome functions in macrophages by Berger, S, Romero, X, Ma, C, Wang, G, Faubion, W, Liao, G, Compeer, E, Keszei, M, Rameh, L, Wang, N, Boes, M, Regueiro, J, Reinecker, H, Terhorst, C

“…Here we unexpectedly found that the self ligand and cell surface receptor SLAM functioned not only as a costimulatory molecule but also as a microbial sensor that controlled the killing of Gram-negative bacteria by macrophages. …”

Quantum dynamics of the abstraction reaction of H with cyclopropane. by Shan, X, Clary, D

“…The dynamics of the abstraction reaction of H atoms with the cyclopropane molecule is studied using quantum mechanical scattering theory. …”

Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. by Ivan, T, Enkvist, E, Viira, B, Manoharan, G, Raidaru, G, Pflug, A, Alam, K, Zaccolo, M, Engh, R, Uri, A

“…The acknowledged potential of small-molecule therapeutics targeting disease-related protein-protein interactions (PPIs) has promoted active research in this field. …”

Zero field mu SR and QLCR in the molecular metal system (DMe-DCNQI)(2)Cu by Pratt, F, Pattenden, P, Blundell, S, Jestadt, T, Chow, K, Hayes, W, Kato, R, Tamura, M, Sawa, H, Aonuma, S

“…A sharp nuclear quadrupolar level crossing resonance (QLCR) was observed at 50 G which was assigned to resonance with the imine nitrogen on the DCNQI molecule.…”

STRUCTURE OF A DODECYLTRIMETHYLAMMONIUM BROMIDE LAYER AT THE AIR-WATER-INTERFACE DETERMINED BY NEUTRON REFLECTION - COMPARISON OF THE MONOLAYER STRUCTURE OF CATIONIC SURFACTANTS WI... by Lyttle, D, Lu, J, Su, T, Thomas, R, Penfold, J

“…We have determined the structure of a monolayer of dodecyltrimethylammonium bromide (C12TAB) adsorbed at the air/water interface at three surface concentrations corresponding to areas per molecule of 44, 48, and 60 A2, using neutron reflection. …”

Three-dimensional solution structure of the extracellular region of the complement regulatory protein CD59, a new cell-surface protein domain related to snake venom neurotoxins. by Kieffer, B, Driscoll, P, Campbell, I, Willis, A, Van Der Merwe, P, Davis, S

“…The cell surface antigen CD59 is an inhibitor of complement-mediated lysis and a member of the Ly6 superfamily (Ly6SF) of cysteine-rich cell-surface molecules whose sequences are related to those of snake venom neurotoxins. …”

Monitoring poly(ADP-ribosyl)glycohydrolase activity with a continuous fluorescent substrate by Drown, B, Shirai, T, Rack, J, Ahel, I, Hergenrother, P

“…The post-translational modification (PTM) and signaling molecule poly(ADP-ribose) (PAR) has an impact on diverse biological processes. …”

Organic and molecular magnets by Blundell, S, Pratt, F

“…Another development is single-molecule magnets, formed by preparing small magnetic clusters. …”

Report on the sixth blind test of organic crystal structure prediction methods by Cooper, R

“…The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride salt hydrate, a co-crystal and a bulky flexible molecule. …”

Signal transduction of the GPCR Smoothened: a key protein in Hedgehog-regulated morphogenesis and oncogenesis by Woolley, R

“…We also develop and validate a novel small molecule binding assay and adapt it to study allosteric communication within Smoothened. …”

Covalent fragment screening and optimization identifies the chloroacetohydrazide scaffold as inhibitors for ubiquitin C-terminal hydrolase L1 by Imhoff, RD, Patel, R, Safdar, MH, Jones, HBL, Pinto-Fernandez, A, Vendrell, I, Chen, H, Muli, CS, Krabill, AD, Kessler, BM, Wendt, MK, Das, C, Flaherty, DP

“…Additionally, we report a ligand-bound crystal structure of the most potent molecule in complex with UCHL1, providing insight into the binding mode and information for future optimization.…”

High-density volumetric super-resolution microscopy by Daly, S, Ferreira Fernandes, J, Bruggeman, E, Handa, A, Peters, R, Benaissa, S, Zhang, B, Beckwith, JS, Sanders, EW, Sims, RR, Klenerman, D, Davis, SJ, O’Holleran, K, Lee, SF

“…Volumetric super-resolution microscopy typically encodes the 3D position of single-molecule fluorescence into a 2D image by changing the shape of the point spread function (PSF) as a function of depth. …”

Dissection of multi-protein complexes using mass spectrometry: subunit interactions in transthyretin and retinol-binding protein complexes. by Rostom, A, Sunde, M, Richardson, S, Schreiber, G, Jarvis, S, Bateman, R, Dobson, C, Robinson, C

“…Conditions were found whereby complexes of these proteins, containing from four to six protein molecules with up to two ligands, are preserved in the gas phase. …”

Cytotoxic T lymphocytes recognize a fragment of influenza virus matrix protein in association with HLA-A2. by Gotch, F, Rothbard, J, Howland, K, Townsend, A, McMichael, A

“…Here we describe a peptide derived from the influenza matrix protein that is recognized by human CTL in association with the HLA-A2 molecule.…”

Human DNA Cross-Link Repair 1A (DCLRE1A, SNM1A); A Target Enabling Package by Newman, J

“…Furthermore, we provide a crystallization system that generates thousands of reproducible crystals that allow soaking of small-molecule ligands. We provide crystal structures of several small molecule fragments and inhibitors, opening the way to development of more potent and selective inhibitors.…”

Fully Λ-doublet resolved state-to-state differential cross-sections for the inelastic scattering of NO(X) with Ar. by Eyles, C, Brouard, M, Chadwick, H, Hornung, B, Nichols, B, Yang, C, Kłos, J, Aoiz, F, Gijsbertsen, A, Wiskerke, A, Stolte, S

“…Fully Λ-doublet resolved state-to-state differential cross-sections (DCSs) for the collisions of the open-shell NO(X, (2)Π(1/2), ν = 0, j = 0.5) molecule with Ar at a collision energy of 530 cm(-1) are presented. …”

CD2 and CD3 antigens mobilize Ca2+ independently. by O'Flynn, K, Knott, L, Russul-Saib, M, Abdul-Gaffar, R, Morgan, G, Beverley, P, Linch, D

“…This indicates that calcium mobilization can be induced via the CD2 molecule in NK cells not expressing CD3 and that activation through CD2 is separate from the antigen receptor CD3 pathway.…”

Direct observation of abortive initiation and promoter escape within single immobilized transcription complexes. by Margeat, E, Kapanidis, A, Tinnefeld, P, Wang, Y, Mukhopadhyay, J, Ebright, R, Weiss, S

“…The results obtained using this new methodology confirm and extend those obtained from diffusing single molecules, and pave the way for real-time, single-molecule observations of the transitions between various states of the transcription complex throughout transcription.…”