Computational protocol: Antileukemic activity of nuclear export inhibitors that spare normal hematopoietic cells

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Protocol publication

[…] The KPT-251•ScCRM1(T539C)•HsRan•ScRanBP1 structure was solved using the molecular replacement program MolRep and the coordinates of ScCRM1•ScRan•ScRanBP1 (3M1I) as the search model. One inhibitor ScCRM1(T539C)•HsRan•ScRanBP1 complex is present in each asymmetric unit. The resulting models and electron density maps were examined with the program COOT. Several cycles of model rebuilding and refinement using the program Refmac5 led to convergence., Translation/Libration/Screw (TLS) refinement was used in the refinement process., Ramanchandran statistics were calculated using the CCP4 program Procheck., Refinement statistics are listed in . […]

Pipeline specifications

Software tools Molrep, Coot, REFMAC5, CCP4, PROCHECK
Application Protein structure analysis
Organisms Mus musculus, Homo sapiens
Diseases Leukemia, Leukemia, Myeloid, Acute, Drug-Related Side Effects and Adverse Reactions