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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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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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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4HW4
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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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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
 | | 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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2IMT
 | | 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: | 2007-01-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | 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 | | 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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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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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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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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6CKV
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2KBW
 | | Solution Structure of human Mcl-1 complexed with human Bid_BH3 peptide | | Descriptor: | BH3-interacting domain death agonist, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Liu, Q, Moldoveanu, T, Sprules, T, Matta-Camacho, E, Mansur-Azzam, N, Gehring, K. | | Deposit date: | 2008-12-09 | | Release date: | 2009-12-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Apoptotic regulation by MCL-1 through heterodimerization.
J.Biol.Chem., 285, 2010
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2KUA
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6E3J
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6E3I
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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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6EB6
 | | Crystal structure of BAX W139A monomer | | Descriptor: | Apoptosis regulator BAX, FORMIC ACID | | Authors: | Robin, A.Y. | | Deposit date: | 2018-08-05 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.023 Å) | | Cite: | BAX Activation: Mutations Near Its Proposed Non-canonical BH3 Binding Site Reveal Allosteric Changes Controlling Mitochondrial Association.
Cell Rep, 27, 2019
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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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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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6FBX
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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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6FS1
 | | MCL1 in complex with an indole acid ligand | | Descriptor: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Kasmirski, S, Hargreaves, D. | | Deposit date: | 2018-02-18 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 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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