Literature DB >> 29199982

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis. Addendum.

Jason C Cole1, Ilenia Giangreco1, Colin R Groom1.   

Abstract

An addendum to the Introduction of Cole et al. [(2017), Acta Cryst. D73, 234-239] is made to recognize the work of Bricogne, Smart and others in the development of methods to make use of Cambridge Structural Database data in protein structure solution.

Entities:  

Keywords:  Cambridge Structural Database; addendum; macromolecular crystallography; scripting

Year:  2017        PMID： 29199982      PMCID： PMC5713878          DOI： 10.1107/S2059798317016904

Source DB:  PubMed          Journal:  Acta Crystallogr D Struct Biol        ISSN： 2059-7983            Impact factor:   7.652


In the Introduction to Cole et al. (2017 ▸) a short resume of example areas where Mogul (Bruno et al., 2004 ▸) has been used was given. Two contributions in this area (BUSTER and GRADE; Smart et al., 2011 ▸) were the pioneering works where Mogul was applied to protein crystallography, and so should also have been recognised.
  2 in total

1.  Retrieval of crystallographically-derived molecular geometry information.

Authors:  Ian J Bruno; Jason C Cole; Magnus Kessler; Jie Luo; W D Sam Motherwell; Lucy H Purkis; Barry R Smith; Robin Taylor; Richard I Cooper; Stephanie E Harris; A Guy Orpen
Journal:  J Chem Inf Comput Sci       Date:  2004 Nov-Dec

2.  Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis.

Authors:  Jason C Cole; Ilenia Giangreco; Colin R Groom
Journal:  Acta Crystallogr D Struct Biol       Date:  2017-02-22       Impact factor: 7.652
  2 in total

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