9BCG
| Myeloid cell leukemia-1 (Mcl-1) complexed with compound | Descriptor: | 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Zhao, B, Fesik, S.W. | Deposit date: | 2024-04-09 | Release date: | 2024-08-07 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors. J.Med.Chem., 67, 2024
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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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8VJP
| Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1 | Descriptor: | (4Z)-oct-4-en-1-ol, (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid, Histidine-covalent stapled alpha-helical peptide, ... | Authors: | Muzzarelli, K.M, Assar, Z, Alboreggia, G, Pellecchia, M. | Deposit date: | 2024-01-07 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Histidine-Covalent Stapled Alpha-Helical Peptides Targeting hMcl-1. J.Med.Chem., 67, 2024
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8XP5
| The Crystal Structure of p53/BCL-xL fusion complex from Biortus. | Descriptor: | Bcl-2-like protein 1,Cellular tumor antigen p53, ZINC ION | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | Deposit date: | 2024-01-03 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Crystal Structure of p53/BCL-xL fusion complex from Biortus. To Be Published
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8UKY
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8QSO
| Crystal structure of human Mcl-1 in complex with compound 1 | Descriptor: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | Deposit date: | 2023-10-10 | Release date: | 2024-02-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen. J.Med.Chem., 67, 2024
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8WLS
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8U27
| Bcl-2-xL complexed with compound 35 | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | Authors: | Rizo, J, Pan, Y.-Z. | Deposit date: | 2023-09-05 | Release date: | 2023-09-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights for selective disruption of Beclin 1 binding to Bcl-2. Commun Biol, 6, 2023
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8T6F
| Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor | Descriptor: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Poncet-Montange, G, Lemke, C.T. | Deposit date: | 2023-06-15 | Release date: | 2024-06-19 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | BRD-810 is a highly selective MCL1 inhibitor with optimized in vivo clearance and robust efficacy in solid and hematological tumor models. Nat Cancer, 2024
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8SVY
| MBP-Mcl1 in complex with ligand 10 | Descriptor: | (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-05-17 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1. Acs Med.Chem.Lett., 14, 2023
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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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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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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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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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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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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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8SM5
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8IVB
| K113-Ubiquitinated BAK | Descriptor: | Bcl-2 homologous antagonist/killer, Ubiquitin | Authors: | Dong, X, Cheng, P, Hou, Y.Z, Chen, Y.K, Liu, Z. | Deposit date: | 2023-03-26 | Release date: | 2024-01-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove. Commun Biol, 6, 2023
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8IQM
| Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Bcl2 modifying factor, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.967 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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8IQK
| Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Bcl-2-like protein 1, Bcl-2-modifying factor | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.879 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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8IQL
| Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-modifying factor | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9577 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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8IGC
| Crystal structure of Bak bound to Bnip5 BH3 | Descriptor: | Bcl-2 homologous antagonist/killer, Protein BNIP5 | Authors: | Ku, B, Lim, D. | Deposit date: | 2023-02-20 | Release date: | 2023-09-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Crystal structure of Bak bound to the BH3 domain of Bnip5, a noncanonical BH3 domain-containing protein. Proteins, 92, 2024
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8G3W
| MBP-Mcl1 in complex with ligand 28 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Maltodextrin-binding protein, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G3T
| MBP-Mcl1 in complex with ligand 12 | Descriptor: | (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G3U
| MBP-Mcl1 in complex with ligand 21 | Descriptor: | (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, 1,2-ETHANEDIOL, Maltodextrin-binding protein, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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