So, two more GPCR structures in last weeks Nature magazine. This time two paralogous opioid receptors, the mu (human UniProt:P35372) and kappa (human UniProt:P41145) subtypes, one from mouse, the other from human, and both complexed to synthetic antagonists. These continue to add to our ability to understand and predict pharmacology of known and future drugs, but also will be great examples for engagement with the public over science - everyone has heard of opiates, and heroin and morphine, even my kids have!
%A A. Manglik
%A A. Kruse
%A T. Kobilka
%A F. Thian
%A J. Mathiesen
%A R. Sunahara
%A L. Pardo
%A W. Weis
%A B. Kobilka
%A S. Granier
%D 2012
%T Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
%J Nature
%O DOI: 10.1038/nature10954
%A H. Wu
%A D. Wacker
%A M. Mileni
%A V. Katritch
%A G. Han
%A E. Varmy
%A W. Liu
%A A. Thompson
%A X. Huang
%A F. Carroll
%A S. Mascarella
%A R. Westkaemper
%A P. Mosier
%A B. Roth
%A V. Cherezov
%A R. Stevens, R.
%D 2012
%T Structure of the human κ-opioid receptor in complex with JDTic
%J Nature
%O DOI: 10.1038/nature10939
Here's an alignment for the 13 sequence distinct structures; I don't think it's completely right in several places, but it is a challenging family to align completely and certainly it's not unambiguous, but it's a start.
The "Cutting Edge Approaches to Drug Design" (CEADD) Symposia, originally set up by the RSC Molecular Modelling Group and now run by the Molecular Graphics and Modelling Society (MGMS), are a well-established event in the scientific calendar. They are aimed primarily at people with a medicinal chemistry background and should also be of interest to those involved in computational biology, computational chemistry, bioinformatics, cheminformatics, biophysics and structural biology. The emphasis is on interdisciplinarity in drug discovery and also on evolving tools and techniques and their application in understanding biological systems.
This is a call for people wanting to sign up for the "Schema & SQL Querying" webinar that will be hosted next Wednesday 21st March at 3.30pm (GMT).
It will be a 45 minute webinar that will take you through the ChEMBL schema and also how to use SQL queries to extract data from the database.
Remember to register your interest in our webinars on the Doodle Poll. Make sure that you leave your email address as well as your name so that we can send the connection details to you. Any problems, please contact chembl-help@ebi.ac.uk.
For those of you who can't make it to this webinar, we will be hosting it again on the 16th of May.
I was just comparing the built in page view stats tools in google's blogger software and the stats in google analytics. The former is server side, but they do prune access from spam site (I think), the latter is relies on interactions with the client, cookies, etc. so in the toy way I understand teh interweb, I see this as 'client' side. It's really simple to configure things so that google analytics doesn't track access, and quite a few people do.
So here's an interesting number - from July 1st 2011 to today, there were 184,035 page views (~710 per day) for this blog in google bloggers stats for chembl.blogspot.com, and only 55,435 page views in google analytics (~214 per day) - don't laugh at how small the numbers are, but now you know. Anyway, google analytics is about 3.3 fold down on actual page views.
I'm sure all bloggers look at their stats, so is this ratio typical?
There's an interesting blog post that I was directed to recently, and it may be of interest to a broader audience. It's here on David Price's blog and details the loading of an early version of ChEMBL into OWL using D2R under TopBraid Composer. Shame there's no updates since the original post...
Open PHACTS is a 3-year EU-funded (IMI) project, targeted to enhance and accelerate data intensive drug research for academic and industry partners. It comprises the development of an innovative open source, open standard and open access platform (application), the Open Pharmacological Space (OPS).
The project is driven by the Open PHACTS consortium, composed of 14 European core academic and SME partners in close cooperation with 8 major industry partners from pharmacological areas.
The realization of the OPS platform and its placement in the targeted pharmaceutical area significantly depends on a proper strategic licensing plan considering all licensing and IP issues of the incorporated sources (data, software components).
Main purpose and primary role of required consultancy:
The primary role of the consultant is to contribute in depth knowledge with respect to licensing models and IP rights to the Open PHACTS project. Thus, consultancy services are targeted to ensure compliance of the OPS platform with licensing conditions related to the data and software components held in it.
To develop a high-level strategic plan for licensing, considering the current and anticipated data sources and software components as well as OPS business case requirements.
In depth assessment of licencing status of each individual data source, further providing a recommendation whether or how this is acceptable for inclusion into the open PHACTS platform.
Engagement in communication of licence model options with partners.
To work with data owners to develop alternative licence models (e.g. such as Creative Commons model) where the original one does not fit and the provider is willing to
participate.
To produce internal and public policy documents regarding the Open PHACTS
licencing compliance for the data sources it contains.
To represent Open PHACTS in public forum to promote the ability to consume public
data for publishing in the platform.
Further details can be found here, deadline for applications is 16th April 2012.
This is a call for people wanting to sign up for the "Schema & SQL Querying" webinar that will be hosted next Wednesday 21st March at 3.30pm (GMT).It will be a 45 minute webinar that will take you through the ChEMBL schema and also how to use SQL queries to extract data from the database.Remember to register your interest in our webinars on the Doodle Poll. Make sure that you leave your email address as well as your name so that we can send the connection details to you. Any problems, please contact chembl-help@ebi.ac.uk.For those of you who can't make it to this webinar, we will be hosting it again on the 16th of May.
There's an interesting blog post that I was directed to recently, and it may be of interest to a broader audience. It's here on David Price's blog and details the loading of an early version of ChEMBL into OWL using D2R under TopBraid Composer. Shame there's no updates since the original post...
