6YBG
 
 | | Structure of Mcl-1 in complex with compound 2g | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Surgenor, A.E, Murray, J.B. | | 登録日 | 2020-03-17 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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6YLD
 | | Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3 | | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ... | | 著者 | D Sa, J, Banjara, S, Kvansakul, M. | | 登録日 | 2020-04-07 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis.
Sci Adv, 6, 2020
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2JCN
 | | The crystal structure of BAK1 - a mitochondrial apoptosis regulator | | 分子名称: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, SULFATE ION | | 著者 | Moche, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Lundgren, S, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2006-12-27 | | 公開日 | 2007-01-04 | | 最終更新日 | 2018-06-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Crystal Structure of Bak1 - an Apoptosis Trigger in the Mitochondrial Outer Membrane
To be Published
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2IMT
 | | The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site | | 分子名称: | Apoptosis regulator BAK, ZINC ION | | 著者 | Moldoveanu, T, Liu, Q, Tocilj, A, Watson, M, Shore, G.C, Gehring, K.B. | | 登録日 | 2006-10-04 | | 公開日 | 2007-01-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | The X-ray structure of a BAK homodimer reveals an inhibitory zinc binding site.
Mol.Cell, 24, 2006
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2XPX
 | | Crystal structure of BHRF1:Bak BH3 complex | | 分子名称: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BHRF1, BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ... | | 著者 | Kvansakul, M, Huang, D.C.S, Colman, P.M. | | 登録日 | 2010-08-31 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural Basis for Apoptosis Inhibition by Epstein-Barr Virus Bhrf1.
Plos Pathog., 6, 2010
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2IMS
 | | The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site | | 分子名称: | Apoptosis regulator BAK, ZINC ION | | 著者 | Moldoveanu, T, Liu, Q, Tocilj, A, Watson, M, Shore, G.C, Gehring, K.B. | | 登録日 | 2006-10-04 | | 公開日 | 2006-12-26 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | The X-Ray Structure of a BAK Homodimer Reveals an Inhibitory Zinc Binding Site
Mol.Cell, 24, 2006
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3PK1
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2KBW
 | | Solution Structure of human Mcl-1 complexed with human Bid_BH3 peptide | | 分子名称: | BH3-interacting domain death agonist, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Liu, Q, Moldoveanu, T, Sprules, T, Matta-Camacho, E, Mansur-Azzam, N, Gehring, K. | | 登録日 | 2008-12-09 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Apoptotic regulation by MCL-1 through heterodimerization.
J.Biol.Chem., 285, 2010
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3QBR
 | | BakBH3 in complex with sjA | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Bcl-2 homologous antagonist/killer, SJCHGC06286 protein | | 著者 | Lee, E.F, Clarke, O.B, Fairlie, W.D, Colman, P.M, Evangelista, M, Feng, Z, Speed, T.P, Tchoubrieva, E, Strasser, A, Kalinna, B. | | 登録日 | 2011-01-13 | | 公開日 | 2011-04-13 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Discovery and molecular characterization of a Bcl-2-regulated cell death pathway in schistosomes.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2KUA
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7LK4
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4OYD
 | | Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein | | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor | | 著者 | Shen, B, Procko, E, Baker, D, Stoddard, B. | | 登録日 | 2014-02-11 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
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4OQ5
 | | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | | 分子名称: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | | 登録日 | 2014-02-07 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
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1Q59
 | | Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2 | | 分子名称: | Early antigen protein R | | 著者 | Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T. | | 登録日 | 2003-08-06 | | 公開日 | 2003-09-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2
J.Mol.Biol., 332, 2003
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6B4U
 | | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | | 分子名称: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Judge, R.A, Souers, A.J. | | 登録日 | 2017-09-27 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
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6B4L
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4WMR
 | | STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A | | 分子名称: | 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ... | | 著者 | CLIFTON, M.C, EDWARDS, T.E. | | 登録日 | 2014-10-09 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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7M5C
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7M5A
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7M5B
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7NB4
 | | Structure of Mcl-1 complex with compound 1 | | 分子名称: | (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2021-01-25 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
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7NB7
 | | Structure of Mcl-1 complex with compound 6b | | 分子名称: | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | | 登録日 | 2021-01-25 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
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4OQ6
 | | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | | 分子名称: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | | 登録日 | 2014-02-07 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
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6BW8
 | | Mcl-1 complexed with small molecules | | 分子名称: | 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2017-12-14 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
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6BW2
 | | Mcl-1 complexed with small molecules | | 分子名称: | 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2017-12-14 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
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