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Structure paper

TitleA novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
Journal, issue, pagesTo be Published
Publish dateAug 10, 2010 (structure data deposition date)
AuthorsDi Paolo, J.A. / Huang, T. / Balazs, M. / Barbosa, J. / Barck, K.H. / Carano, R.A.D. / Darrow, J. / Davies, D.R. / DeForge, L.E. / Dennis Jr., G. ...Di Paolo, J.A. / Huang, T. / Balazs, M. / Barbosa, J. / Barck, K.H. / Carano, R.A.D. / Darrow, J. / Davies, D.R. / DeForge, L.E. / Dennis Jr., G. / Diehl, L. / Ferrando, R.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.8 - 1.95 Å
Structure data

PDB-3ocs:
Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3oct:
Crystal structure of bruton's tyrosine kinase mutant V555R in complex with dasatinib
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-746:
4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide

ChemComp-HOH:
WATER

ChemComp-1N1:
N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE / medication*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Tyrosine kinase / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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