KinasePro

Kinase Chemistry – Just a year and a half behind the times.

PDB Update

Posted by kinasepro on December 26, 2006

2NP8: Aurora Kinase. Novartis has a series of these kinds of compounds described in: JACS ’06 – 2182, but its looking like this came out of Takeda, and the companion article to this xray is in the ‘to be published’ category. Only other Aurora relevant Xray is a mutant: 2C6E, and of course the Abl mutant with VX680: 2F4J.

O=C(C1CC1)NC2=CC(NC3=NC(NC4=CC=CC(C(F)(F)F)=C4)=CC=N3)=CC=C2

Interesting, looks that there’s a lysine residue on the glycine rich loop which is fairly specific to Aurora and appears to hydrogen bond the trifluromethyl group. Else these look to be in a similar conformation to the Rigel pyrimidines.

Also new today: 2FGA; Chk1 Apo: Bioorg Med Chem Lett ’06 – 2293 Peculiar, this is a low resolution apo with identity to the much earlier high resolution Chk1 apo: 1IA8.

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