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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7K02
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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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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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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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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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6FS2
 | | MCL1 in complex with indole acid ligand | | 分子名称: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Hargreaves, D. | | 登録日 | 2018-02-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
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6FS0
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1WSX
 | | Solution structure of MCL-1 | | 分子名称: | myeloid cell leukemia sequence 1 | | 著者 | Day, C.L, Chen, L, Richardson, S.J, Harrison, P.J, Huang, D.C, Hinds, M.G. | | 登録日 | 2004-11-12 | | 公開日 | 2004-11-23 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of Prosurvival Mcl-1 and Characterization of Its Binding by Proapoptotic BH3-only Ligands
J.Biol.Chem., 280, 2005
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6H1N
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5KU9
 | | Crystal structure of MCL1 with compound 1 | | 分子名称: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | | 著者 | Ferguson, A.D. | | 登録日 | 2016-07-13 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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6HJL
 | | Affimer:BclxL | | 分子名称: | Affimer ADB13, Bcl-2-like protein 1 | | 著者 | Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | | 登録日 | 2018-09-04 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
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5JSB
 | | Crystal structure of Mcl1-inhibitor complex | | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | | 著者 | Shen, B.W, Stoddard, B.L. | | 登録日 | 2016-05-07 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
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3WIX
 | | Crystal structure of Mcl-1 in complex with compound 4 | | 分子名称: | 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Sogabe, S, Igaki, S, Hayano, Y. | | 登録日 | 2013-09-26 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
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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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3WIY
 | | Crystal structure of Mcl-1 in complex with compound 10 | | 分子名称: | 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Sogabe, S, Igaki, S, Hayano, Y. | | 登録日 | 2013-09-26 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
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3PK1
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1F16
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3KZ0
 | | MCL-1 complex with MCL-1-specific selected peptide | | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 specific peptide MB7, SULFATE ION, ... | | 著者 | Dutta, S, Fire, E, Grant, R.A, Sauer, R.T, Keating, A.E. | | 登録日 | 2009-12-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.349 Å) | | 主引用文献 | Determinants of BH3 binding specificity for Mcl-1 versus Bcl-xL.
J.Mol.Biol., 398, 2010
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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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3MK8
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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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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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4HW2
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