6C4G
| Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | 登録日 | 2018-01-11 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics. Eur J Med Chem, 154, 2018
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3IO8
| BimL12F in complex with Bcl-xL | 分子名称: | Bcl-2-like protein 1, Bcl-2-like protein 11, ZINC ION | 著者 | Colman, P.M, Lee, E.F, Fairlie, W.D, Smith, B.J, Czabotar, P.E, Yang, H, Sleebs, B.E, Lessene, G. | 登録日 | 2009-08-14 | 公開日 | 2009-09-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
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3IO9
| BimL12Y in complex with Mcl-1 | 分子名称: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | 著者 | Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D. | 登録日 | 2009-08-14 | 公開日 | 2009-09-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
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4ZL4
| Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842) | 分子名称: | (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine, 1,2-ETHANEDIOL, Aspartic protease PM5, ... | 著者 | Czabotar, P.E, Hodder, A.N, Smith, B.J, Sleebs, B.E, Gazdic, M, Boddey, J.A, Cowman, A.F. | 登録日 | 2015-05-01 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes. Nat.Struct.Mol.Biol., 22, 2015
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3QKD
| Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor | 分子名称: | (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, Bcl-2-like protein 1, CHLORIDE ION, ... | 著者 | Czabotar, P.E, Smith, B.J. | 登録日 | 2011-01-31 | 公開日 | 2011-04-06 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | 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
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4QVX
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4TUH
| Bcl-xL in complex with inhibitor (Compound 10) | 分子名称: | 1,2-ETHANEDIOL, 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, ACETATE ION, ... | 著者 | Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M. | 登録日 | 2014-06-24 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL. Acs Med.Chem.Lett., 5, 2014
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3ZLO
| Crystal structure of BCL-XL in complex with inhibitor (Compound 6) | 分子名称: | 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1 | 著者 | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | 登録日 | 2013-02-04 | 公開日 | 2013-04-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Structure-Guided Design of a Selective Bcl-Xl Inhibitor Nat.Chem.Biol., 9, 2013
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3ZLR
| Crystal structure of BCL-XL in complex with inhibitor (WEHI-539) | 分子名称: | 1,2-ETHANEDIOL, 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, BCL-2-LIKE PROTEIN 1, ... | 著者 | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | 登録日 | 2013-02-04 | 公開日 | 2013-04-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.026 Å) | 主引用文献 | Structure-Guided Design of a Selective Bcl-Xl Inhibitor Nat.Chem.Biol., 9, 2013
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3ZLN
| Crystal structure of BCL-XL in complex with inhibitor (Compound 3) | 分子名称: | 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ... | 著者 | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | 登録日 | 2013-02-04 | 公開日 | 2013-04-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.288 Å) | 主引用文献 | Structure-Guided Design of a Selective Bcl-Xl Inhibitor Nat.Chem.Biol., 9, 2013
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3ZK6
| Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). | 分子名称: | BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide | 著者 | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | 登録日 | 2013-01-22 | 公開日 | 2013-04-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structure-Guided Design of a Selective Bcl-Xl Inhibitor Nat.Chem.Biol., 9, 2013
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3INQ
| Crystal structure of BCL-XL in complex with W1191542 | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ... | 著者 | Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F. | 登録日 | 2009-08-12 | 公開日 | 2009-09-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands J. Biol. Chem., 284, 2009
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7JMT
| Crystal structure of schistosome BCL-2 bound to ABT-737 | 分子名称: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein | 著者 | Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D. | 登録日 | 2020-08-02 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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7JGV
| CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2 | 分子名称: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | 著者 | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | 登録日 | 2020-07-19 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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7JGW
| Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1 | 分子名称: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | 著者 | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | 登録日 | 2020-07-19 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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7TBC
| Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | 分子名称: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | 登録日 | 2021-12-21 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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7TBE
| Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | 著者 | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | 登録日 | 2021-12-21 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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7TBD
| Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | 分子名称: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | 登録日 | 2021-12-21 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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7TBB
| Crystal structure of Plasmepsin X from Plasmodium falciparum | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | 著者 | Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F. | 登録日 | 2021-12-21 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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5VWV
| Bak core latch dimer in complex with Bim-BH3 - Cubic | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | 著者 | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VX2
| Mcl-1 in complex with Bim-h3Pc-RT | 分子名称: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | 著者 | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VX0
| Bak in complex with Bim-h3Glg | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | 著者 | Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VWW
| Bak core latch dimer in complex with Bim-RT - Tetragonal | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, BROMIDE ION, Bcl-2 homologous antagonist/killer, ... | 著者 | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VX1
| Bak L100A | 分子名称: | Bcl-2 homologous antagonist/killer | 著者 | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.224 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5UMD
| Structure of the Plasmodium falciparum 80S ribosome bound to the antimalarial drug mefloquine | 分子名称: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | 著者 | Wong, W, Bai, X.-C, Brown, A, Scheres, S, Baum, J. | 登録日 | 2017-01-27 | 公開日 | 2017-03-01 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis. Nat Microbiol, 2, 2017
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