2IMS
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![BU of 2ims by Molmil](/molmil-images/mine/2ims) | The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site | Descriptor: | Apoptosis regulator BAK, ZINC ION | Authors: | Moldoveanu, T, Liu, Q, Tocilj, A, Watson, M, Shore, G.C, Gehring, K.B. | Deposit date: | 2006-10-04 | Release date: | 2006-12-26 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | 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
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![BU of 7jmt by Molmil](/molmil-images/mine/7jmt) | Crystal structure of schistosome BCL-2 bound to ABT-737 | Descriptor: | 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 | Authors: | Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D. | Deposit date: | 2020-08-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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6BW8
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![BU of 6bw8 by Molmil](/molmil-images/mine/6bw8) | Mcl-1 complexed with small molecules | Descriptor: | 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 | Authors: | Zhao, B. | Deposit date: | 2017-12-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 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
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![BU of 2jcn by Molmil](/molmil-images/mine/2jcn) | The crystal structure of BAK1 - a mitochondrial apoptosis regulator | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, SULFATE ION | Authors: | 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) | Deposit date: | 2006-12-27 | Release date: | 2007-01-04 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of Bak1 - an Apoptosis Trigger in the Mitochondrial Outer Membrane To be Published
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6B4U
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![BU of 6b4u by Molmil](/molmil-images/mine/6b4u) | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | Descriptor: | 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 | Authors: | Judge, R.A, Souers, A.J. | Deposit date: | 2017-09-27 | Release date: | 2017-10-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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![BU of 6fs2 by Molmil](/molmil-images/mine/6fs2) | MCL1 in complex with indole acid ligand | Descriptor: | 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 | Authors: | Hargreaves, D. | Deposit date: | 2018-02-18 | Release date: | 2018-12-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 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
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![BU of 1wsx by Molmil](/molmil-images/mine/1wsx) | Solution structure of MCL-1 | Descriptor: | myeloid cell leukemia sequence 1 | Authors: | Day, C.L, Chen, L, Richardson, S.J, Harrison, P.J, Huang, D.C, Hinds, M.G. | Deposit date: | 2004-11-12 | Release date: | 2004-11-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 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
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![BU of 5ku9 by Molmil](/molmil-images/mine/5ku9) | Crystal structure of MCL1 with compound 1 | Descriptor: | (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 | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-13 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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6HJL
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![BU of 6hjl by Molmil](/molmil-images/mine/6hjl) | Affimer:BclxL | Descriptor: | Affimer ADB13, Bcl-2-like protein 1 | Authors: | Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | Deposit date: | 2018-09-04 | Release date: | 2020-03-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs Biorxiv, 2020
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5JSB
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![BU of 5jsb by Molmil](/molmil-images/mine/5jsb) | Crystal structure of Mcl1-inhibitor complex | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-07 | Release date: | 2016-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
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3WIX
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![BU of 3wix by Molmil](/molmil-images/mine/3wix) | Crystal structure of Mcl-1 in complex with compound 4 | Descriptor: | 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 | Authors: | Sogabe, S, Igaki, S, Hayano, Y. | Deposit date: | 2013-09-26 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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![BU of 3qbr by Molmil](/molmil-images/mine/3qbr) | BakBH3 in complex with sjA | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Bcl-2 homologous antagonist/killer, SJCHGC06286 protein | Authors: | 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. | Deposit date: | 2011-01-13 | Release date: | 2011-04-13 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | 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
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![BU of 3wiy by Molmil](/molmil-images/mine/3wiy) | Crystal structure of Mcl-1 in complex with compound 10 | Descriptor: | 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 | Authors: | Sogabe, S, Igaki, S, Hayano, Y. | Deposit date: | 2013-09-26 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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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![BU of 3pk1 by Molmil](/molmil-images/mine/3pk1) | Crystal structure of Mcl-1 in complex with the BaxBH3 domain | Descriptor: | Apoptosis regulator BAX, CADMIUM ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Czabotar, P.E, Colman, P.M. | Deposit date: | 2010-11-11 | Release date: | 2010-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Mutation to Bax beyond the BH3 domain disrupts interactions with pro-survival proteins and promotes apoptosis J.Biol.Chem., 286, 2011
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1F16
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3KZ0
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![BU of 3kz0 by Molmil](/molmil-images/mine/3kz0) | MCL-1 complex with MCL-1-specific selected peptide | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 specific peptide MB7, SULFATE ION, ... | Authors: | Dutta, S, Fire, E, Grant, R.A, Sauer, R.T, Keating, A.E. | Deposit date: | 2009-12-07 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.349 Å) | Cite: | Determinants of BH3 binding specificity for Mcl-1 versus Bcl-xL. J.Mol.Biol., 398, 2010
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4OYD
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![BU of 4oyd by Molmil](/molmil-images/mine/4oyd) | Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor | Authors: | Shen, B, Procko, E, Baker, D, Stoddard, B. | Deposit date: | 2014-02-11 | Release date: | 2014-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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![BU of 4oq6 by Molmil](/molmil-images/mine/4oq6) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | 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. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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4OQ5
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![BU of 4oq5 by Molmil](/molmil-images/mine/4oq5) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | Descriptor: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | 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. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | 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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![BU of 4hw2 by Molmil](/molmil-images/mine/4hw2) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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