6YBG
| Structure of Mcl-1 in complex with compound 2g | Descriptor: | (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 | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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2YV6
| Crystal structure of human Bcl-2 family protein Bak | Descriptor: | Bcl-2 homologous antagonist/killer, SULFATE ION | Authors: | Wang, H, Kishishita, S, Murayama, K, Takemoto, C, Terada, T, Shirouzu, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-09 | Release date: | 2008-04-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel dimerization mode of the human Bcl-2 family protein Bak, a mitochondrial apoptosis regulator. J.Struct.Biol., 166, 2009
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6YLD
| Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3 | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ... | Authors: | D Sa, J, Banjara, S, Kvansakul, M. | Deposit date: | 2020-04-07 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis. Sci Adv, 6, 2020
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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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6ZIE
| Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B | Descriptor: | CMPX-383B, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Pannecoucke, E, Savvides, S.N, Desmet, J, Lasters, I. | Deposit date: | 2020-06-25 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cell-penetrating Alphabody protein scaffolds for intracellular drug targeting. Sci Adv, 7, 2021
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2XPX
| Crystal structure of BHRF1:Bak BH3 complex | Descriptor: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BHRF1, BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ... | Authors: | Kvansakul, M, Huang, D.C.S, Colman, P.M. | Deposit date: | 2010-08-31 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for Apoptosis Inhibition by Epstein-Barr Virus Bhrf1. Plos Pathog., 6, 2010
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4HW3
| Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-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 (2.4 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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4HW4
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7LK4
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4WMR
| STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A | Descriptor: | 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-, ... | Authors: | CLIFTON, M.C, EDWARDS, T.E. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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7M5B
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7M5C
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7M5A
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7NB4
| Structure of Mcl-1 complex with compound 1 | Descriptor: | (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, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | (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 | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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1Q59
| Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2 | Descriptor: | Early antigen protein R | Authors: | Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T. | Deposit date: | 2003-08-06 | Release date: | 2003-09-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 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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6CKV
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6L8V
| membrane-bound Bax helix2-helix5 domain | Descriptor: | Apoptosis regulator BAX | Authors: | OuYang, B, Lv, F. | Deposit date: | 2019-11-07 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane. Embo J., 40, 2021
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6E3J
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6E3I
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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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4S0O
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6BW2
| Mcl-1 complexed with small molecules | Descriptor: | 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 | Authors: | Zhao, B. | Deposit date: | 2017-12-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 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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6MBB
| Human Bfl-1 in complex with the designed peptide dF1 | Descriptor: | Bcl-2-related protein A1, dF1 | Authors: | Jenson, J.M, Keating, A.E. | Deposit date: | 2018-08-29 | Release date: | 2019-03-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure, 27, 2019
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4S0P
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