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Structure paper

TitleStructural Characterization of LRRK2 Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 3751-3756, Year 2015
Publish dateMar 25, 2015 (structure data deposition date)
AuthorsGilsbach, B.K. / Messias, A.C. / Ito, G. / Sattler, M. / Alessi, D.R. / Wittinghofer, A. / Kortholt, A.
External linksJ. Med. Chem. / PubMed:25897865
MethodsX-ray diffraction
Resolution1.55 - 3 Å
Structure data

PDB-4yzm:
Humanized Roco4 bound to LRRK2-In1
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-4yzn:
Humanized Roco4 bound to Compound 19
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-4K4:
2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-4K5:
(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone

Source
  • dictyostelium discoideum (eukaryote)
KeywordsTRANSFERASE / Roco-Protein / Kinase / LRRK2 / Inhibitor / Roco4

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