2025-01-18_00000029
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ligand
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8V5H
Crystal structure of MASTL Kinase domain in complex with an inhibitor;
X-ray diffraction 2.74Å
Protein #1
343 residues (73% resolved)
Raw Sequence ...
GSMDPTAGSKKEPGGGAATEEGVNRIAVPKPPSIEEFSIVKPISRGAFGKVYLGQKGGKLYAVKVVKKADMINKNMTHQVQAERDALALSKSPFIVHLYYSLQSANNVYLVMEYLIGGDVKSLLHIYGYFDEEMAVKYISEVALALDYLHRHGIIHRDLKPDNMLISNEGHIKLTDFGLSKVTLNRDINMMDILTTPRTFCILGTPDYLAPELLLGRAHGPAVDWWALGVCLFEFLTGIPPFNDETPQQVFQNILKRDIPWPEGEEKLSDNAQSAVEILLTIDDTKRAGMKELKRHPLFSDVDWENLQHQTMPFIPQPDDETDTSYFEARNTAQHLTVSGFSL
Canonical Sequence ...
GSMDPTAGSKKEPGGGAATEEGVNRIAVPKPPSIEEFSIVKPISRGAFGKVYLGQKGGKLYAVKVVKKADMINKNMTHQVQAERDALALSKSPFIVHLYYSLQSANNVYLVMEYLIGGDVKSLLHIYGYFDEEMAVKYISEVALALDYLHRHGIIHRDLKPDNMLISNEGHIKLTDFGLSKVTLNRDINMMDILTTPRTFCILGTPDYLAPELLLGRAHGPAVDWWALGVCLFEFLTGIPPFNDETPQQVFQNILKRDIPWPEGEEKLSDNAQSAVEILLTIDDTKRAGMKELKRHPLFSDVDWENLQHQTMPFIPQPDDETDTSYFEARNTAQHLTVSGFSL
Non polymer #2
A1AAE
InChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18)
InChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18)
SMILES: CCNc1cc2cc(nc(c2cn1)N)c3cncn3C
CCNc1cc2cc(nc(c2cn1)N)c3cncn3C
Biounit #1
monomer
Download coordinates
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Model
Reference
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