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TitleDevelopment and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 13264-13287, Year 2022
Publish dateDec 12, 2021 (structure data deposition date)
AuthorsHanke, T. / Mathea, S. / Woortman, J. / Salah, E. / Berger, B.T. / Tumber, A. / Kashima, R. / Hata, A. / Kuster, B. / Muller, S. / Knapp, S.
External linksJ. Med. Chem. / PubMed:36136092
MethodsX-ray diffraction
Resolution1.45 - 1.74 Å
Structure data

PDB-7qhg:
LIM domain kinase 2 (LIMK2) in complex with TH-470
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-8aau:
LIM Domain Kinase 1 (LIMK1) bound to LIMKi3
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-T3B:
2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-LH0:
~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide

ChemComp-SO4:
SULFATE ION

ChemComp-MG:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / Type-2 inhibitor / Actin dynamics / CFL-1 / Kinase Small-molecule inhibitor CFL-1 Actin cytoskeleton dynamics

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