From: jurgen (jurgen@bmrb.wisc.edu)
Date: Thu Sep 30 2004 - 09:47:10 CDT
Dear subscriber to the BMRB mailing list,
The experimental NMR data of 500+ PDB entries that were deposited with the
PDB over many years were classified and parsed by the BMRB staff as
described before (REF. 1).
In collaboration with the NMR group in Utrecht, the Netherlands and the CCPN
in Cambridge, UK, we have just completed the next step by making the data
consistent with the coordinates. The restraints and coordinates are
available in two new database DOCR and FRED (REF. 2). The first contains all
restraints whereas the latter contains only a filtered subset. The data are
available in NMR-STAR, XML, CNS, and CYANA for easy deployment (REF. 3).
The query interface is available at the BMRB site: http://www.bmrb.wisc.edu.
Select "Features" in the left panel and in the main panel of the resulting
page select "NMR restraints from PDB MR files" under "Data Access".
-1- Doreleijers, J.F., Mading, S., Maziuk, D., Sojourner, K., Yin, L., Zhu,
J., Markley, J.L., and Ulrich, E.L., J. Biomol. NMR 26, 139-146 (2003).
-2- Doreleijers J.F., Nederveen A.J., Vranken W., Lin J., Bonvin A.M.,
Kaptein R., Markley J.L., and Ulrich E.L. BioMagResBank databases DOCR and
FRED with converted and filtered sets of experimental NMR restraints and
coordinates from over 500 protein PDB structures. submitted, 2004.
-3- Nederveen A.J., Doreleijers J.F., Vranken W.F., Miller Z., Spronk
C.A.E.M., Nabuurs S.B., Güntert P., Livny M., Markley J.L., Nilges M.,
Ulrich E.L., Kaptein R., and Bonvin A.M.J.J. RECOORD: a REcalculated
COORdinates database of 500+ proteins from the PDB using restraint data from
the BioMagResBank. submitted, 2004.
Please send me your suggestions for improvements,
Jurgen
--- Jurgen F. Doreleijers, Ph.D. CESG/BMRB, Univ. of Wisconsin-Madison, WI, USA mailto:jurgen@bmrb.wisc.edu*** Details on how to be removed from this list as well as an *** *** archive of recent postings are available at *** *** http://mail.bmrb.wisc.edu/bmrblist/ ***
This archive was generated by hypermail 2.1.4 : Tue Jan 04 2005 - 13:59:53 CST