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Crystal Structure of Sphingosine Kinase 1 with PF-543.

ABSTRACT: The most potent inhibitor of Sphingosine Kinase 1 (SPHK1) so far identified is PF-543. The crystal structure of SPHK1 in complex with inhibitor PF-543 to 1.8 Å resolution reveals the inhibitor bound in a bent conformation analogous to that expected of a bound sphingosine substrate but with a rotated head group. The structural data presented will aid in the design of SPHK1 and SPHK2 inhibitors with improved properties.

SUBMITTER: Wang J 

PROVIDER: S-EPMC4265818 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal Structure of Sphingosine Kinase 1 with PF-543.

Wang Jing J   Knapp Stefan S   Pyne Nigel J NJ   Pyne Susan S   Elkins Jonathan M JM  

ACS medicinal chemistry letters 20141027 12

The most potent inhibitor of Sphingosine Kinase 1 (SPHK1) so far identified is PF-543. The crystal structure of SPHK1 in complex with inhibitor PF-543 to 1.8 Å resolution reveals the inhibitor bound in a bent conformation analogous to that expected of a bound sphingosine substrate but with a rotated head group. The structural data presented will aid in the design of SPHK1 and SPHK2 inhibitors with improved properties. ...[more]

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