PMID- 12393930
OWN - NLM
STAT- MEDLINE
DCOM- 20030507
LR  - 20190605
IS  - 0907-4449 (Print)
IS  - 0907-4449 (Linking)
VI  - 58
IP  - Pt 11
DP  - 2002 Nov
TI  - From information management to protein annotation: preparing protein structures 
      for drug discovery.
PG  - 1968-70
AB  - In contrast to academic pursuits of structural genomics, Structural GenomiX (SGX) 
      solves protein structures at high throughput for the main purpose of enhancing 
      drug-discovery projects, either internally or in partnership with 
      pharmaceutical/biotechnology companies. This involves a radical redesign of the 
      pipeline of methods that turn a gene sequence into a three-dimensional protein 
      structure. The various processes all report electronically to a Laboratory 
      Information Management System (LIMS) to make sure all the parameters of the 
      experiment are recorded in an accessible and 'mineable' form, helping guarantee 
      reproducibility of results. Quality control at several key points keeps the 
      process from branching out on a wrong hypothesis. Protein annotation, in a broad 
      sense, takes care of the interpretation of a protein crystal structure or the 
      crystal structure of one or several protein-ligand complexes. This interpretation 
      both gathers all necessary biological information (protein function, mechanism, 
      specific features within a protein family etc.) and hands over this information 
      in a form accessible to medicinal chemistry teams designing specific 
      small-molecule agonists or antagonists.
FAU - Peat, Tom
AU  - Peat T
AD  - Structural GenomiX Inc, USA.
FAU - de La Fortelle, Eric
AU  - de La Fortelle E
FAU - Culpepper, Janice
AU  - Culpepper J
FAU - Newman, Janet
AU  - Newman J
LA  - eng
PT  - Journal Article
PT  - Review
DEP - 20021021
PL  - United States
TA  - Acta Crystallogr D Biol Crystallogr
JT  - Acta crystallographica. Section D, Biological crystallography
JID - 9305878
RN  - 0 (Proteins)
SB  - IM
MH  - Crystallization
MH  - *Databases, Protein
MH  - *Drug Design
MH  - Information Storage and Retrieval
MH  - Protein Conformation
MH  - Proteins/*chemistry/genetics
RF  - 2
EDAT- 2002/10/24 04:00
MHDA- 2003/05/08 05:00
CRDT- 2002/10/24 04:00
PHST- 2002/05/01 00:00 [received]
PHST- 2002/09/19 00:00 [accepted]
PHST- 2002/10/24 04:00 [pubmed]
PHST- 2003/05/08 05:00 [medline]
PHST- 2002/10/24 04:00 [entrez]
AID - S0907444902016852 [pii]
AID - 10.1107/s0907444902016852 [doi]
PST - ppublish
SO  - Acta Crystallogr D Biol Crystallogr. 2002 Nov;58(Pt 11):1968-70. doi: 
      10.1107/s0907444902016852. Epub 2002 Oct 21.