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3O0G
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CRYSTAL STRUCTURE OF CDK5:P25 IN COMPLEX WITH AN ATP ANALOGUE
Descriptor:Cell division protein kinase 5, Cyclin-dependent kinase 5 activator 1, {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone
Authors:Mapelli, M.
Deposit date:2010-07-19
Release date:2011-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defining Cdk5 ligand chemical space with small molecule inhibitors of Tau phosphorylation
Chem.Biol., 12, 2005
6AE3
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CRYSTAL STRUCTURE OF GSK3BETA COMPLEXED WITH MORIN
Descriptor:Glycogen synthase kinase-3 beta, 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, GLYCEROL
Authors:Kim, K.L., Cha, J.S., Kim, J.S., Ahn, J.S., Ha, N.C., Cho, H.S.
Deposit date:2018-08-03
Release date:2018-09-19
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of GSK3 beta in complex with the flavonoid, morin
Biochem. Biophys. Res. Commun., 504, 2018
5OQW
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XIAP IN COMPLEX WITH SMALL MOLECULE
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2017-08-14
Release date:2018-06-27
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNF alpha-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth.
Mol. Cancer Ther., 17, 2018
5X3S
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CRYSTAL STRUCTURE OF MOUSE PLK1-PBD IN COMPLEX WITH PHOSPHOPEPTIDE FROM HEF1 (799-809)
Descriptor:Serine/threonine-protein kinase PLK1, Peptide from Enhancer of filamentation 1
Authors:Kim, J.H., Shin, S.C., Kim, E.E.
Deposit date:2017-02-07
Release date:2017-12-20
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Phosphorylation of human enhancer filamentation 1 (HEF1) stimulates interaction with Polo-like kinase 1 leading to HEF1 localization to focal adhesions.
J. Biol. Chem., 293, 2018
6H6Q
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FRAGMENT DERIVED XIAP INHIBITOR
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
Authors:Williams, P.A.
Deposit date:2018-07-30
Release date:2018-08-22
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
6H6R
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FRAGMENT DERIVED XIAP INHIBITOR
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2018-07-30
Release date:2018-08-22
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018