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TitlePyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 3906-3919, Year 2016
Publish dateMar 18, 2016 (structure data deposition date)
AuthorsTu, C.H. / Lin, W.H. / Peng, Y.H. / Hsu, T. / Wu, J.S. / Chang, C.Y. / Lu, C.T. / Lyu, P.C. / Shih, C. / Jiaang, W.T. / Wu, S.Y.
External linksJ. Med. Chem. / PubMed:27031565
MethodsX-ray diffraction
Resolution1.88 - 2.1 Å
Structure data

PDB-5iug:
Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-5iuh:
Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5iui:
Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

ChemComp-729:
N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

ChemComp-HOH:
WATER

ChemComp-34Y:
4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide

ChemComp-45Q:
N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / CATALYTIC DOMAIN

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