Author results

3IO8
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BIML12F IN COMPLEX WITH BCL-XL
Descriptor:Bcl-2-like protein 1, Bcl-2-like protein 11, ZINC ION
Authors:Colman, P.M., Lee, E.F., Fairlie, W.D., Smith, B.J., Czabotar, P.E., Yang, H., Sleebs, B.E., Lessene, G.
Deposit date:2009-08-14
Release date:2009-09-01
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
3IO9
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BIML12Y IN COMPLEX WITH MCL-1
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Bcl-2-like protein 11, ZINC ION
Authors:Czabotar, P.E., Lee, E.F., Yang, H., Sleebs, B.E., Lessene, G., Colman, P.M., Smith, B.J., Fairlie, W.D.
Deposit date:2009-08-14
Release date:2009-09-01
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
4ZL4
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PLASMEPSIN V FROM PLASMODIUM VIVAX BOUND TO A TRANSITION STATE MIMETIC (WEHI-842)
Descriptor:Aspartic protease PM5, N-[(benzyloxy)carbonyl]-O-carbamimidamido-L-homoseryl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-L-valinamide, SULFATE ION, ...
Authors:Czabotar, P.E., Hodder, A.N., Smith, B.J., Sleebs, B.E., Gazdic, M., Boddey, J.A., Cowman, A.F.
Deposit date:2015-05-01
Release date:2015-07-15
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Nat.Struct.Mol.Biol., 22, 2015
6C4G
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PLASMEPSIN V FROM PLASMODIUM VIVAX BOUND TO A TRANSITION STATE MIMETIC (WEHI-601)
Descriptor:Aspartic protease PM5, N-ACETYL-D-GLUCOSAMINE, benzyl [(6S,7S,10S,13S,18Z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate, ...
Authors:Czabotar, P.E., Hodder, A.N., Nguyen, W., Sleebs, B.E., Boddey, J.A., Cowman, A.F.
Deposit date:2018-01-11
Release date:2018-06-13
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
3QKD
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CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH A QUINAZOLINE SULFONAMIDE INHIBITOR
Descriptor:Bcl-2-like protein 1, (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, CHLORIDE ION, ...
Authors:Czabotar, P.E., Smith, B.J.
Deposit date:2011-01-31
Release date:2011-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity.
J.Med.Chem., 54, 2011
3INQ
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CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH W1191542
Descriptor:Bcl-2-like protein 1, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, 1,2-ETHANEDIOL, ...
Authors:Fairlie, W.D., Smith, B.J., Colman, P.M., Czabotar, P.E., Lee, E.F.
Deposit date:2009-08-12
Release date:2009-09-01
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands
J. Biol. Chem., 284, 2009
3ZK6
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CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH INHIBITOR (COMPOUND 2).
Descriptor:BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
Authors:Czabotar, P.E., Lessene, G.L., Smith, B.J., Colman, P.M.
Deposit date:2013-01-22
Release date:2013-04-24
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLN
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CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH INHIBITOR (COMPOUND 3)
Descriptor:BCL-2-LIKE PROTEIN 1, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, SULFATE ION, ...
Authors:Czabotar, P.E., Lessene, G.L., Smith, B.J., Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLO
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CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH INHIBITOR (COMPOUND 6)
Descriptor:BCL-2-LIKE PROTEIN 1, 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid
Authors:Czabotar, P.E., Lessene, G.L., Smith, B.J., Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLR
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CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH INHIBITOR (WEHI-539)
Descriptor:BCL-2-LIKE PROTEIN 1, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, ...
Authors:Czabotar, P.E., Lessene, G.L., Smith, B.J., Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
4QVX
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DISCOVERY OF A POTENT AND SELECTIVE BCL-XL INHIBITOR THAT DEMONSTRATES THROMBOCYTOPENIA AND INHIBITS TUMOR GROWTH IN VIVO
Descriptor:Bcl-2-like protein 1, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4TUH
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BCL-XL IN COMPLEX WITH INHIBITOR (COMPOUND 10)
Descriptor:Bcl-2-like protein 1, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, ...
Authors:Czabotar, P.E., Lessense, G., Smith, B.J., Colman, P.M.
Deposit date:2014-06-24
Release date:2014-10-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
5UMD
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STRUCTURE OF THE PLASMODIUM FALCIPARUM 80S RIBOSOME BOUND TO THE ANTIMALARIAL DRUG MEFLOQUINE
Descriptor:28S ribosomal RNA, 5S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Wong, W., Bai, X.-C., Brown, A., Scheres, S., Baum, J.
Deposit date:2017-01-27
Release date:2017-03-01
Last modified:2018-10-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis.
Nat Microbiol, 2, 2017
5VWV
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BAK CORE LATCH DIMER IN COMPLEX WITH BIM-BH3 - CUBIC
Descriptor:Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, trifluoroacetic acid, ...
Authors:Brouwer, J.M., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VWW
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BAK CORE LATCH DIMER IN COMPLEX WITH BIM-RT - TETRAGONAL
Descriptor:Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Brouwer, J.M., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VWX
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BAK CORE LATCH DIMER IN COMPLEX WITH BIM-H0-H3GLT
Descriptor:Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ethane-1,2-diol
Authors:Brouwer, J.M., Lan, P., Lessene, G., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VWY
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BAK CORE LATCH DIMER IN COMPLEX WITH BIM-H3PC-RT
Descriptor:Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, PHOSPHATE ION
Authors:Brouwer, J.M., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.555 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VWZ
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BAK IN COMPLEX WITH BIM-H3PC
Descriptor:Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ...
Authors:Brouwer, J.M., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.622 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX0
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BAK IN COMPLEX WITH BIM-H3GLG
Descriptor:Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, MAGNESIUM ION, ...
Authors:Brouwer, J.M., Lan, P., Lessene, G., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX1
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BAK L100A
Descriptor:Bcl-2 homologous antagonist/killer
Authors:Brouwer, J.M., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.224 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX2
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MCL-1 IN COMPLEX WITH BIM-H3PC-RT
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera, Bcl-2-like protein 11, 1,2-ETHANEDIOL
Authors:Cowan, A.D., Brouwer, J.M., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX3
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BCL-XL IN COMPLEX WITH BIM-H3PC-RT
Descriptor:Bcl-2-like protein 1, Bcl-2-like protein 11, 1,2-ETHANEDIOL
Authors:Cowan, A.D., Brouwer, J.M., Colman, P.M., Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017