[ccp4bb] Sir Prof. Aaron Klug 1926 - 2018

2018-12-05 Thread Miri Hirshberg
over cups of tea, both at Stanford California and in the LMB. His brilliant scientific mind went hand in hand with his pleasant,civilised, sometimes funny and immensely interesting persona. It is never too late to pay respects. May he rest in peace Miri

Re: [ccp4bb] [Fwd: Re: [ccp4bb] FW: New ligand 3-letter code (help-7071)]

2015-06-24 Thread Miri Hirshberg
e was no unethical behaviour by either group > in the > >> course of their work on these structures and the > publication of them. > >> > >> The problem I am highlighting is that the PDB don't > understand >

Re: [ccp4bb] [Fwd: Re: [ccp4bb] FW: New ligand 3-letter code (help-7071)]

2015-06-21 Thread Miri Hirshberg
Sun., June 21st 2015 Good evening, adding several general points to the thread. (1) Fundamentally PDB unlike other chemical databases insists that all equal structures should have the same 3-letter code and the same atom names - obviously for amino acids and say ATP. (1.1) Needless to say t

[ccp4bb] Felix Frolow has passed away

2014-08-31 Thread Miri Hirshberg
missed. Miri Hirshberg

Re: [ccp4bb] Google doodle for Rosalind Franklin

2013-07-25 Thread Miri Hirshberg
Thurs. July 25th, 2013 EBI also an interesting article on the subject of women in science then and today http://www.guardian.co.uk/technology/2013/jul/25/rosalind-franklin-google-doodle Miri Hirshberg, PDBe On Thu, 25 Jul 2013, David Schuller wrote: http://news.cnet.com/8301-1023_3

Re: [ccp4bb] Crystallography on BBC Radio 4 next week

2012-11-22 Thread Miri Hirshberg
On Thu, 22 Nov 2012, George T. DeTitta wrote: Does anyone happen to know if BBC4 broadcasts over the web? George DeTitta HWI / UB bbc.co.uk/iplayer then radio and BBC4 they keep stuff for 7 days M. Sent via BlackBerry by AT&T -Original Message- From: Martyn Winn Sender: CCP4 bull

Re: [ccp4bb] Naturally occuring alpha-Methyl-L-Proline - sorry

2012-09-22 Thread Miri Hirshberg
Hirshberg PDBe On Sat, 22 Sep 2012, Miri Hirshberg wrote: Sat. Sept. 22nd, 2012 EBI Good evening, N-methyl-Pro is a known protein modification. Was observed in Histone H2B from Drosophila for example. UniProt P02283 indicates that PTM Methylation at Pro-2 increases upon heat shock The source

Re: [ccp4bb] Naturally occuring alpha-Methyl-L-Proline

2012-09-22 Thread Miri Hirshberg
are important. The best DB for Protein modification is the RESID http://www.ebi.ac.uk/RESID/ the entry is AA0419 Hope this help Miri Hirshberg PDBe p.s. PDB used to have a chem_comp dictionary entry for this modification, PKR, now obsoleted. On Sat, 22 Sep 2012, Nicholas M Glykos wrote

[ccp4bb] ccp4bb] All-D World

2012-02-15 Thread Miri Hirshberg
Weds., Feb. 15th 2012 EBI Good evening, PDB entries with spg P 1- or I -4 C 2 are 3al1 3boi 2gpm 1krl 2gq7 2gq6 2gq5 2gq4 2g32 1pup 3e7r 1vtu 3odv 3trw 3try you can get information on each from pdbe pdbe.org/entry i.e. pdbe.org/3al1 etc. Miri, PDBe On Wed, 15 Feb 2012, Jacob Keller wrote:

Re: [ccp4bb] Strange density in Arg

2011-07-04 Thread Miri Hirshberg
Mon. July 4th 2011 EBI Good evening, firstly, it could be something that came form the buffer/crystallisation soup etc. What about phosphate? Secondly, if you think it is a "natural" post-translation modification of your specific protein this is gene/source depended. Check the uniprot entry

[ccp4bb] PISA server

2011-03-26 Thread Miri Hirshberg
inform us of any other difficulties. Regards Miri Hirshberg, PDBe On Sat, 26 Mar 2011, Daniel Bonsor wrote: Is the PISA server having problems? I can not seem to upload any structure. Thanks Dan

Re: [ccp4bb] How to get PDB of small molecule which is not available in data base..??

2010-10-31 Thread Miri Hirshberg
Sun. Oct. 31st, 2010 EBI Dear Hussey, there are many paths to take. Try PDBe (PDB Europe) http://www.ebi.ac.uk/pdbe-site/pdbemotif/ draw your molecule and search. Miri - PDBe

Re: [ccp4bb] superpositioning two ligands

2010-09-03 Thread Miri Hirshberg
Fri. Sept 3rd 2010 EBI Try ProFit ttp://www.bioinf.org.uk/software/profit/ as you can give the atom names you want to fit. Miri On Fri, 3 Sep 2010, Rex Palmer wrote: This is not really protein crystallography but we are trying to model build a ligand into a protein binding site. A simila

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-29 Thread Miri Hirshberg
plete list. click on an entry, and from its atlas page you can get the Quaternary structure Miri On Thu, 29 Jul 2010, Miri Hirshberg wrote: Thurs., July 29th 2010 EBI Morning, I think Andrew meant PDB 2gd1 and 1gd1 (has 4 NAD) DOI10.1016/0022-2836(88)90130-1 Miri On Wed, 28 Jul 2010, A Le

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-29 Thread Miri Hirshberg
Thurs., July 29th 2010 EBI Morning, I think Andrew meant PDB 2gd1 and 1gd1 (has 4 NAD) DOI10.1016/0022-2836(88)90130-1 Miri On Wed, 28 Jul 2010, A Leslie wrote: Hi Fred, If your tetramer show negative cooperativity between the 4 sites for ligand binding, then it is possible to g

Re: [ccp4bb] Finding best model for molecular replacement

2010-05-23 Thread Miri Hirshberg
Paul Dr Miri Hirshberg European Bioinformatics Institute UK PDBe - EBI -EMBL http://www.ebi.ac.uk/pdbe Phone: +44 (0) 1223 492647 FAX: +44 (0) 1223 494468

Re: [ccp4bb] sequence from pdb

2010-04-06 Thread Miri Hirshberg
Mon., April 5th 2010 EBI several options with no need for extra software: (1) goto http://www.ebi.ac.uk/pdbe/ left handside under "Get PDB by ID" enter a pdb idcode for example 1mh1 you get http://www.ebi.ac.uk/pdbe-srv/view/entry/1mh1/summary goto Structure primary and click Fasta cut and past

Re: [ccp4bb] sequence from pdb

2010-04-06 Thread Miri Hirshberg
Mon., April 5th 2010 EBI several options with no need for extra software: (1) goto http://www.ebi.ac.uk/pdbe/ left handside under "Get PDB by ID" enter a pdb idcode for example 1mh1 you get http://www.ebi.ac.uk/pdbe-srv/view/entry/1mh1/summary goto Structure primary and click Fasta cut and past

Re: [ccp4bb] sequence from pdb

2010-04-06 Thread Miri Hirshberg
several options with no need for extra software: (1) goto http://www.ebi.ac.uk/pdbe/ left handside under "Get PDB by ID" enter a pdb idcode for example 1mh1 you get http://www.ebi.ac.uk/pdbe-srv/view/entry/1mh1/summary goto Structure primary and click Fasta cut and paste the sequence (2) pickup

[ccp4bb] 3D-fititng which is actually 2D-fititng

2010-02-26 Thread Miri Hirshberg
Fri., Feb. 26th 2010 EBI Dear all, I've already replied privately to several people who replied when I first posted th question, but did not set the record-clear for the whole community and I do apologize. What I have is two or more 3D structures, not protein, similar in their 3D but equival

Re: [ccp4bb] 3D-fititng which is actually 2D-fititng

2010-02-26 Thread Miri Hirshberg
On Fri, 26 Feb 2010, Liz Potterton wrote: Miri, For matching similar small molecules you can try in CCP4mg as described at http://www.ysbl.york.ac.uk/~ccp4mg/ccp4mg_help/superpose.html#interactive_selection the 'user defined' superposition option with 'monomer' mode. This does 2D graph isom

[ccp4bb] 3D-fititng which is actually 2D-fititng

2010-02-26 Thread Miri Hirshberg
Fri., Feb. 26th 2010 EBI Dear all, I've already replied privately to several people who replied when I first posted th question, but did not set the record-clear for the whole community and I do apologize. What I have is two or more 3D structures, not protein, similar in their 3D but equivalen

[ccp4bb] PDB 3.2 Nomenclature

2010-02-11 Thread Miri Hirshberg
linked from www.pdd.org/www.wwpdb.org. Many thanks to Randy Read, Miri Hirshberg and Kim Henrick for your fast help! Best regards, Dirk. Am 11.02.10 11:19, schrieb Dirk Kostrewa: Dear Miri, thanks a lot for looking after this! I would like to have the actual reference dictionaries for the most

Re: [ccp4bb] PDB 3.2 Nomenclature

2010-02-11 Thread Miri Hirshberg
usual compounds. They either have the broken link that I've mentioned or point to the ftp-site with its cryptic collection. Anyway, thanks for the pointer. Best regards, Dirk. Am 11.02.10 10:36, schrieb Miri Hirshberg: Thurs., feb. 11th 2010 EBI Hello, to add to Randy Read's note, th

[ccp4bb] PDB 3.2 Nomenclature

2010-02-11 Thread Miri Hirshberg
m.ac.uk Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk Thurs., Feb. 11th 2010 EBI ---- Dr Miri Hirshberg European Bioinformatics Institute UK PDBe - EBI -EMBL http://www.ebi.ac.uk/pdbe Phone: +44 (0) 1223 492647 FAX: +44 (0) 1223 494468

[ccp4bb] 3D fitting

2010-01-17 Thread Miri Hirshberg
Miri Hirshberg European Bioinformatics Institute UK PDBe - EBI -EMBL http://www.ebi.ac.uk/pdbe Phone: +44 (0) 1223 492647 FAX: +44 (0) 1223 494468

[ccp4bb] 3D search for peptide conformers? - SSM

2009-12-14 Thread Miri Hirshberg
oom 10-102 New College Building 245 N. 15th St., Mailstop 497 Philadelphia, PA  19102-1192  USA (215) 762-7706 pat.l...@drexelmed.edu ---- Dr Miri Hirshberg European Bioinformatics Institute UK PDBe - EBI -EMBL http://www.ebi.ac.uk/pdbe Phone: +44 (0) 1223 492

Re: [ccp4bb] Multiple active or allosteric pocket allignment

2009-06-15 Thread Miri Hirshberg
based on acive site residues or defined by its volume of cavity with preferred deviation. any suggestions could possibly help me. sincerely S.Jayashankar Research Student Institute for Biophysical Chemistry Hannover Medical School Germany. -- Dr Miri

Re: [ccp4bb] structure alignment based on the ligand

2009-04-13 Thread Miri Hirshberg
Dr Miri Hirshberg European Bioinformatics Institute UK http://www.ebi.ac.uk Phone: +44 (0) 1223 492647 FAX: +44 (0) 1223 494487