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PDBsum entry 4d2v
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References listed in PDB file
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Key reference
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Title
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Fragment-Based discovery of type i inhibitors of maternal embryonic leucine zipper kinase.
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Authors
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C.N.Johnson,
V.Berdini,
L.Beke,
P.Bonnet,
D.Brehmer,
J.E.Coyle,
P.J.Day,
M.Frederickson,
E.J.Freyne,
R.A.Gilissen,
C.C.Hamlett,
S.Howard,
L.Meerpoel,
R.Mcmenamin,
S.Patel,
D.C.Rees,
A.Sharff,
F.Sommen,
T.Wu,
J.T.Linders.
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Ref.
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Acs Med Chem Lett, 2015,
6,
25-30.
[DOI no: ]
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PubMed id
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Abstract
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Fragment-based drug design was successfully applied to maternal embryonic
leucine zipper kinase (MELK). A low affinity (160 μM) fragment hit was
identified, which bound to the hinge region with an atypical binding mode, and
this was optimized using structure-based design into a low-nanomolar and
cell-penetrant inhibitor, with a good selectivity profile, suitable for use as a
chemical probe for elucidation of MELK biology.
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