2VOG
 
 | | Structure of mouse A1 bound to the Bmf BH3-domain | | Descriptor: | BCL-2-MODIFYING FACTOR, BCL-2-RELATED PROTEIN A1, CHLORIDE ION | | Authors: | Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L. | | Deposit date: | 2008-02-17 | | Release date: | 2008-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
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2VOH
 | | Structure of mouse A1 bound to the Bak BH3-domain | | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-2-RELATED PROTEIN A1, CITRIC ACID, ... | | Authors: | Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L. | | Deposit date: | 2008-02-17 | | Release date: | 2008-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
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2VOF
 | | Structure of mouse A1 bound to the Puma BH3-domain | | Descriptor: | BCL-2-BINDING COMPONENT 3, BCL-2-RELATED PROTEIN A1, CHLORIDE ION | | Authors: | Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L. | | Deposit date: | 2008-02-17 | | Release date: | 2008-03-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
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2VOI
 | | Structure of mouse A1 bound to the Bid BH3-domain | | Descriptor: | BCL-2-RELATED PROTEIN A1, BH3-INTERACTING DOMAIN DEATH AGONIST P13, CHLORIDE ION | | Authors: | Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L. | | Deposit date: | 2008-02-17 | | Release date: | 2008-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
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8RPO
 | | BFL1 in complex with a reversible covalent ligand | | Descriptor: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | | Authors: | Hargreaves, D. | | Deposit date: | 2024-01-16 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
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8SM5
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8SPE
 | | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2023-05-03 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SPZ
 | | Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine | | Descriptor: | Apoptosis regulator BAX, SULFATE ION | | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | | Deposit date: | 2023-05-04 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SVK
 | | Crystal structure of Bax D71N core domain BH3-groove dimer | | Descriptor: | Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Miller, M.S, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2023-05-16 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SPF
 | | Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ... | | Authors: | Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2023-05-03 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SRX
 | | Crystal structure of BAK-BAX heterodimer with lysoPC | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ... | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | | Deposit date: | 2023-05-07 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SRY
 | | Crystal structure of BAK-BAX heterodimer with C12E8 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ... | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | | Deposit date: | 2023-05-08 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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4ZBI
 | | Mcl-1 complexed with small molecules | | Descriptor: | 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-04-14 | | Release date: | 2015-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
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4ZEQ
 | | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247 | | Descriptor: | BH3-interacting domain death agonist, Bcl-2-related protein A1 | | Authors: | Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-04-20 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide
To Be Published
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4ZII
 | | Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, BH3-interacting domain death agonist | | Authors: | Czabotar, P.E, Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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4ZIG
 | | Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini | | Descriptor: | Apoptosis regulator BAX, BH3-interacting domain death agonist | | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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4ZBF
 | | Mcl-1 complexed with small molecules | | Descriptor: | (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-04-14 | | Release date: | 2015-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
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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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6MBE
 | | Human Mcl-1 in complex with the designed peptide dM7 | | Descriptor: | CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 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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6MCY
 | | Crystal structure of mouse Bak | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2018-09-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
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6MBC
 | | Human Bfl-1 in complex with the designed peptide dF4 | | Descriptor: | Bcl-2-related protein A1, dF4 | | 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 (1.752 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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6MBD
 | | Human Mcl-1 in complex with the designed peptide dM1 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 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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6NE5
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6O6F
 | | Co-crystal structure of Mcl1 with inhibitor | | Descriptor: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-03-06 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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6ODH
 | | BH3 domain swapped dimer of a BAK fragment | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bcl-2 homologous antagonist/killer, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liu, L.-K. | | Deposit date: | 2019-03-26 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A BAK fragment that binds mitochondrial lipids and releases cytochrome c
To Be Published
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