title: Crystallization of protein-ligand complexes.
abstract: Obtaining diffraction-quality crystals has long been a bottleneck in solving the three-dimensional structures of proteins. Often proteins may be stabilized when they are complexed with a substrate, nucleic acid, cofactor or small molecule. These ligands, on the other hand, have the potential to induce significant conformational changes to the protein and ab initio screening may be required to find a new crystal form. This paper presents an overview of strategies in the following areas for obtaining crystals of protein-ligand complexes: (i) co-expression of the protein with the ligands of interest, (ii) use of the ligands during protein purification, (iii) cocrystallization and (iv) soaks.
authors.affiliation: Department of Computational, Analytical and Structural Sciences, Glaxo SmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, USA. annie.m.hassell@gsk.com
authors.forename: Anne M
authors.initials: AM
authors.lastname: Hassell
authors.forename: Gang
authors.initials: G
authors.lastname: An
authors.forename: Randy K
authors.initials: RK
authors.lastname: Bledsoe
authors.forename: Jane M
authors.initials: JM
authors.lastname: Bynum
authors.forename: H Luke
authors.initials: HL
authors.lastname: Carter
authors.forename: Su-Jun J
authors.initials: SJ
authors.lastname: Deng
authors.forename: Robert T
authors.initials: RT
authors.lastname: Gampe
authors.forename: Tamara E
authors.initials: TE
authors.lastname: Grisard
authors.forename: Kevin P
authors.initials: KP
authors.lastname: Madauss
authors.forename: Robert T
authors.initials: RT
authors.lastname: Nolte
authors.forename: Warren J
authors.initials: WJ
authors.lastname: Rocque
authors.forename: Liping
authors.initials: L
authors.lastname: Wang
authors.forename: Kurt L
authors.initials: KL
authors.lastname: Weaver
authors.forename: Shawn P
authors.initials: SP
authors.lastname: Williams
authors.forename: G Bruce
authors.initials: GB
authors.lastname: Wisely
authors.forename: Robert
authors.initials: R
authors.lastname: Xu
authors.forename: Lisa M
authors.initials: LM
authors.lastname: Shewchuk
mesh_terms: D000818:Animals; D001665:Binding Sites; D002352:Carrier Proteins / Q000737:chemistry; D003460:Crystallization; D018360:Crystallography, X-Ray / Q000379:methods*; D006801:Humans; D008024:Ligands; D008081:Liposomes / Q000737:chemistry; D008968:Molecular Conformation; D009154:Mutation; D011506:Proteins / Q000737:chemistry*; D011944:Receptors, Androgen / Q000737:chemistry; D011965:Receptors, Glucocorticoid / Q000737:chemistry; D018161:Receptors, Mineralocorticoid / Q000737:chemistry; D013696:Temperature
chemical_list: D002352:Carrier Proteins; D008024:Ligands; D008081:Liposomes; D011506:Proteins; D011944:Receptors, Androgen; D011965:Receptors, Glucocorticoid; D018161:Receptors, Mineralocorticoid