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TitleABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
Journal, issue, pagesNAT. MED. (N. Y. ), Vol. 19, Page 202-208, Year 2013
Publish dateJul 26, 2013 (structure data deposition date)
AuthorsSouers, A.J. / Leverson, J.D. / Boghaert, E.R. / Ackler, S.L. / Catron, N.D. / Chen, J. / Dayton, B.D. / Ding, H. / Enschede, S.H. / Fairbrother, W.J. ...Souers, A.J. / Leverson, J.D. / Boghaert, E.R. / Ackler, S.L. / Catron, N.D. / Chen, J. / Dayton, B.D. / Ding, H. / Enschede, S.H. / Fairbrother, W.J. / Huang, D.C. / Hymowitz, S.G. / Jin, S. / Khaw, S.L. / Kovar, P.J. / Lam, L.T. / Lee, J. / Maecker, H.L. / Marsh, K.C. / Mason, K.D. / Mitten, M.J. / Nimmer, P.M. / Oleksijew, A. / Park, C.H. / Park, C.M. / Phillips, D.C. / Roberts, A.W. / Sampath, D. / Seymour, J.F. / Smith, M.L. / Sullivan, G.M. / Tahir, S.K. / Tse, C. / Wendt, M.D. / Xiao, Y. / Xue, J.C. / Zhang, H. / Humerickhouse, R.A. / Rosenberg, S.H. / Elmore, S.W.
External linksNAT. MED. (N. Y. ) / PubMed:23291630
MethodsX-ray diffraction
Resolution1.9 - 2.07 Å
Structure data

PDB-4lvt:
Bcl_2-Navitoclax (ABT-263) Complex
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-4lxd:
Bcl_2-Navitoclax Analog (without Thiophenyl) Complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4man:
Bcl_2-Navitoclax Analog (with Indole) Complex
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

ChemComp-1XJ:
4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide / anticancer, inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-1XV:
4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide

ChemComp-1Y1:
4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS REGULATOR/INHIBITOR / 8 helices / APOPTOSIS REGULATOR-INHIBITOR complex

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