A New Method for Publishing Three-Dimensional Content

Glucopyranosylidene-spiro-iminothiazolidinone, a new bicyclic ring system: Synthesis, derivatization, and evaluation for inhibition of glycogen phosphorylase by enzyme kinetic and crystallographic methods

“…The presence of the DMSO molecule appears to further stabilize the perturbed 280s loop residues in their new position. The more hydrophobic part of 22 is lying now closer to the 280s loop increasing the number of van der Waals interactions (Table 12S) 47 Comparison of all three ligands showed that their location and orientation at the active site of the enzyme is very similar (Figure 7). In particular, the small incline in the spiro ring observed when one of its nitrogen atoms was replaced by a sulphur atom allowed the ligands to bind along the β-channel by orienting their most hydrophobic groups to optimally interact with residues lining this subsite.…”

“…The slightly worse inhibition potency that it exhibits compared to the lead compound spirohydantoin of glucopyranose (Table 2), might be both due to the sulfur atom introduced in the spiro ring, similar to 6, but also due to the perturbation of the solvent structure to accommodate the phenyl ring. Water 60 O of RMGPb:6 is not present in the new complex structure, destabilizing the side chain of Asp339 47 Replacement of the phenyl ring of 19 with a 2-naphthyl group resulted in compound 22 that was also studied in complex with RMGPb. X-ray diffraction data collected at 2.1 Å resolution slightly lower compared with the previous two complex structures.…”

A novel mutation in GJB1 (c.212T>G) in a Chinese family with X-linked Charcot–Marie–Tooth disease

“…The results were displayed with Molsoft ICM software (http://www.molsoft.com/ icm_browser_pro.html) [17].…”

Interactive JIMD articles using the iSee concept: turning a new page on structural biology data

“…In one single file, the authors can include many different data types, including full atomic coordinates of protein structures or chemical compounds, DNA and amino acid sequences, images, tables, text and molecular graphics animations. These files can be created, viewed and edited using the free ICM Browser software provided by MolSoft, available for Windows, Mac and Linux platforms (Raush et al 2009). A web browser plugin has also been developed which allows the iSee concept to be used directly on the web (Raush et al 2009).…”

“…These files can be created, viewed and edited using the free ICM Browser software provided by MolSoft, available for Windows, Mac and Linux platforms (Raush et al 2009). A web browser plugin has also been developed which allows the iSee concept to be used directly on the web (Raush et al 2009). This has opened the doors for anyone wishing to share their structural findings -either through their own websites (http://www.thesgc.org/iSee) or as peer-reviewed articles published in scientific journals such as PLoS ONE, PLoS Biology and Nature Structure & Molecular Biology (Lee et al 2009;Li et al 2011;Morris et al 2010;Rellos et al 2010).…”