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TitleDeciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Journal, issue, pagesAcs Chem. Biol., Vol. 14, Page 1205-1216, Year 2019
Publish dateJan 18, 2019 (structure data deposition date)
AuthorsSubramanian, G. / Johnson, P.D. / Zachary, T. / Roush, N. / Zhu, Y. / Bowen, S.J. / Janssen, A. / Duclos, B.A. / Williams, T. / Javens, C. ...Subramanian, G. / Johnson, P.D. / Zachary, T. / Roush, N. / Zhu, Y. / Bowen, S.J. / Janssen, A. / Duclos, B.A. / Williams, T. / Javens, C. / Shalaly, N.D. / Molina, D.M. / Wittwer, A.J. / Hirsch, J.L.
External linksAcs Chem. Biol. / PubMed:31059222
MethodsX-ray diffraction
Resolution1.97 - 2.31 Å
Structure data

PDB-6npt:
TRK-A IN COMPLEX WITH LIGAND 1
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-6nsp:
TRK-A IN COMPLEX WITH LIGAND 9
Method: X-RAY DIFFRACTION / Resolution: 2.31 Å

PDB-6nss:
TRK-A IN COMPLEX WITH LIGAND 6
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-KWY:
4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide

ChemComp-HOH:
WATER

ChemComp-L0P:
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide

ChemComp-L0M:
N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TRK-A KINASE DOMAIN HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR Inhibitor / TRANSFERASE/TRANSFERASE Inhibitor / TRANSFERASE-TRANSFERASE Inhibitor complex / TRK-A KINASE DOMAIN / HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR / Inhibitor

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