7TZJ
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![BU of 7tzj by Molmil](/molmil-images/mine/7tzj) | SARS CoV-2 PLpro in complex with inhibitor 3k | 分子名称: | DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ... | 著者 | Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D. | 登録日 | 2022-02-15 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors. Front Chem, 10, 2022
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5VX0
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![BU of 5vx0 by Molmil](/molmil-images/mine/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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5VWX
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![BU of 5vwx by Molmil](/molmil-images/mine/5vwx) | Bak core latch dimer in complex with Bim-h0-h3Glt | 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 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.489 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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3IO8
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![BU of 3io8 by Molmil](/molmil-images/mine/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
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![BU of 3io9 by Molmil](/molmil-images/mine/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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6UVC
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![BU of 6uvc by Molmil](/molmil-images/mine/6uvc) | Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | 分子名称: | (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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6UVE
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![BU of 6uve by Molmil](/molmil-images/mine/6uve) | Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | 分子名称: | (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1 | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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6UVD
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![BU of 6uvd by Molmil](/molmil-images/mine/6uvd) | Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid | 分子名称: | (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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6UVH
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![BU of 6uvh by Molmil](/molmil-images/mine/6uvh) | Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | 分子名称: | (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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6UVF
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![BU of 6uvf by Molmil](/molmil-images/mine/6uvf) | Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | 分子名称: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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6UVG
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![BU of 6uvg by Molmil](/molmil-images/mine/6uvg) | Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid | 分子名称: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | 登録日 | 2019-11-02 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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4C5D
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![BU of 4c5d by Molmil](/molmil-images/mine/4c5d) | Crystal structure of Bcl-xL in complex with benzoylurea compound (42) | 分子名称: | (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | 著者 | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | 登録日 | 2013-09-11 | 公開日 | 2014-02-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization. J.Med.Chem., 57, 2014
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4C52
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![BU of 4c52 by Molmil](/molmil-images/mine/4c52) | Crystal structure of Bcl-xL in complex with benzoylurea compound (39b) | 分子名称: | (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | 著者 | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | 登録日 | 2013-09-10 | 公開日 | 2014-02-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.049 Å) | 主引用文献 | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization. J.Med.Chem., 57, 2014
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