5C3F
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![BU of 5c3f by Molmil](/molmil-images/mine/5c3f) | Crystal structure of Mcl-1 bound to BID-MM | Descriptor: | BID-MM, GLYCEROL, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J. | Deposit date: | 2015-06-17 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Hydrocarbon constrained peptides - understanding preorganisation and binding affinity. Chem Sci, 7, 2016
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5C6H
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![BU of 5c6h by Molmil](/molmil-images/mine/5c6h) | Mcl-1 complexed with Mule | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1 | Authors: | Song, T, Wang, Z, Ji, F, Chai, G, Liu, Y, Li, X, Li, Z, Fan, Y, Zhang, Z. | Deposit date: | 2015-06-23 | Release date: | 2016-08-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Mcl-1 complexed with Mule at 2.05 Angstroms resolution To Be Published
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5FMJ
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![BU of 5fmj by Molmil](/molmil-images/mine/5fmj) | Bcl-xL with mouse Bak BH3 Q75L complex | Descriptor: | 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1 | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J. | Deposit date: | 2015-11-06 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival. Genes Dev., 30, 2016
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5FMK
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![BU of 5fmk by Molmil](/molmil-images/mine/5fmk) | Bcl-xL with Bak BH3 complex | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | Deposit date: | 2015-11-06 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.731 Å) | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival. Genes Dev., 30, 2016
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5FMI
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![BU of 5fmi by Molmil](/molmil-images/mine/5fmi) | Human Bak Q77L | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ZINC ION | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J. | Deposit date: | 2015-11-06 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival. Genes Dev., 30, 2016
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5FC4
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![BU of 5fc4 by Molmil](/molmil-images/mine/5fc4) | Mcl-1 complexed with small molecule inhibitor | Descriptor: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-12-14 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. J.Med.Chem., 59, 2016
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5FCG
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![BU of 5fcg by Molmil](/molmil-images/mine/5fcg) | |
5FDO
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![BU of 5fdo by Molmil](/molmil-images/mine/5fdo) | Mcl-1 complexed with small molecule inhibitor | Descriptor: | 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-12-16 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. J.Med.Chem., 59, 2016
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5FDR
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![BU of 5fdr by Molmil](/molmil-images/mine/5fdr) | Mcl-1 complexed with small molecule inhibitor | Descriptor: | 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-12-16 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. J.Med.Chem., 59, 2016
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5B1Z
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![BU of 5b1z by Molmil](/molmil-images/mine/5b1z) | |
5IEZ
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![BU of 5iez by Molmil](/molmil-images/mine/5iez) | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | Descriptor: | 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2016-02-25 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors. FEBS Lett., 591, 2017
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5IF4
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![BU of 5if4 by Molmil](/molmil-images/mine/5if4) | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | Descriptor: | 4-{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-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2016-02-25 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors. FEBS Lett., 591, 2017
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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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5JSN
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![BU of 5jsn by Molmil](/molmil-images/mine/5jsn) | Bcl2-inhibitor complex | Descriptor: | Apoptosis regulator Bcl-2, Bcl2 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-09 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
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5KTG
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![BU of 5ktg by Molmil](/molmil-images/mine/5ktg) | |
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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5LOF
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![BU of 5lof by Molmil](/molmil-images/mine/5lof) | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | Deposit date: | 2016-08-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature, 538, 2016
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5TWA
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![BU of 5twa by Molmil](/molmil-images/mine/5twa) | Crystal structure of Geodia cydonium BHP2 in complex with Lubomirskia baicalensis Bak-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAK-2 protein, ... | Authors: | Caria, S, Hinds, M.G, Kvansakul, M. | Deposit date: | 2016-11-12 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into an evolutionarily ancient programmed cell death regulator - the crystal structure of marine sponge BHP2 bound to LB-Bak-2. Cell Death Dis, 8, 2017
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5MES
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![BU of 5mes by Molmil](/molmil-images/mine/5mes) | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | Descriptor: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Hargreaves, D. | Deposit date: | 2016-11-16 | Release date: | 2017-01-18 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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5MEV
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![BU of 5mev by Molmil](/molmil-images/mine/5mev) | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21 | Descriptor: | (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Hargreaves, D. | Deposit date: | 2016-11-16 | Release date: | 2017-01-18 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors Acs Med.Chem.Lett., 8, 2017
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5TZQ
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![BU of 5tzq by Molmil](/molmil-images/mine/5tzq) | Crystal Structure of FPV039:Bmf BH3 complex | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein FPV039, Bcl-2-modifying factor | Authors: | Anasir, M.I, Kvansakul, M. | Deposit date: | 2016-11-22 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis of apoptosis inhibition by the fowlpox virus protein FPV039. J. Biol. Chem., 292, 2017
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5TZP
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![BU of 5tzp by Molmil](/molmil-images/mine/5tzp) | Crystal structure of FPV039:Bik BH3 complex | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein FPV039, Bik, ... | Authors: | Anasir, M.I, Kvansakul, M. | Deposit date: | 2016-11-22 | Release date: | 2017-05-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis of apoptosis inhibition by the fowlpox virus protein FPV039. J. Biol. Chem., 292, 2017
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5UA4
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![BU of 5ua4 by Molmil](/molmil-images/mine/5ua4) | |
5UA5
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![BU of 5ua5 by Molmil](/molmil-images/mine/5ua5) | |
5UUK
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![BU of 5uuk by Molmil](/molmil-images/mine/5uuk) | |