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Structure paper

TitleStructure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 3516-3540, Year 2018
Publish dateFeb 26, 2018 (structure data deposition date)
AuthorsReich, S.H. / Sprengeler, P.A. / Chiang, G.G. / Appleman, J.R. / Chen, J. / Clarine, J. / Eam, B. / Ernst, J.T. / Han, Q. / Goel, V.K. ...Reich, S.H. / Sprengeler, P.A. / Chiang, G.G. / Appleman, J.R. / Chen, J. / Clarine, J. / Eam, B. / Ernst, J.T. / Han, Q. / Goel, V.K. / Han, E.Z.R. / Huang, V. / Hung, I.N.J. / Jemison, A. / Jessen, K.A. / Molter, J. / Murphy, D. / Neal, M. / Parker, G.S. / Shaghafi, M. / Sperry, S. / Staunton, J. / Stumpf, C.R. / Thompson, P.A. / Tran, C. / Webber, S.E. / Wegerski, C.J. / Zheng, H. / Webster, K.R.
External linksJ. Med. Chem. / PubMed:29526098
MethodsX-ray diffraction
Resolution2.8 - 3.6 Å
Structure data

PDB-6cj5:
Crystal Structure of Mnk2-D228G in Complex With Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-6cje:
Crystal Structure of Mnk2-D228G in complex with Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.36 Å

PDB-6cjh:
Co-crystal structure of MNK2 in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.6 Å

PDB-6cjw:
Crystal Structure of Mnk2-D228G in Complex With Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.38 Å

PDB-6cjy:
Crystal Structure of Mnk2-D228G in complex with Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.05 Å

PDB-6ck3:
Co-crytsal Structure of MNK2 in Complex With an Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-6ck6:
Crystal Structure of Mnk2-D228G in complex with Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.32 Å

PDB-6cki:
Co-crystal structure of MNK2 in Complex With Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-F4G:
3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide

ChemComp-HOH:
WATER

ChemComp-F4A:
4-[(9H-purin-6-yl)amino]benzamide

ChemComp-ET8:
3-phenyl-5-(pyridin-4-yl)-1H-indazole

ChemComp-FYV:
3-(pyridin-4-yl)imidazo[1,2-b]pyridazine

ChemComp-F4J:
5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one

ChemComp-F67:
(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one

ChemComp-CL:
Unknown entry

ChemComp-N45:
6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

ChemComp-FZJ:
3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE Inhibitor / inhibitor kinase / TRANSFERASE-TRANSFERASE Inhibitor complex / mnk1 inhibitor / mnk2 inhibitor / TRANSFERASE / mnk2

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