8EL0
 
 | | Structure of MBP-Mcl-1 in complex with a macrocyclic compound | | Descriptor: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | | Deposit date: | 2022-09-22 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
|
|
8EL1
 | | Structure of MBP-Mcl-1 in complex with ABBV-467 | | Descriptor: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | | Deposit date: | 2022-09-22 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
|
|
8G1T
 | | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX | | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | | Deposit date: | 2023-02-02 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
|
|
8G3S
 | | MBP-Mcl1 in complex with ligand 11 | | Descriptor: | (1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-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, FORMIC ACID, Maltodextrin-binding protein, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.4 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
|
|
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: | 2023-05-24 | | 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
|
|
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: | 2023-05-24 | | 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
|
|
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: | 2023-05-24 | | 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
|
|
8G3X
 | | MBP-Mcl1 in complex with ligand 32 | | Descriptor: | 1,2-ETHANEDIOL, Maltodextrin-binding protein, Induced myeloid leukemia cell differentiation protein Mcl-1 chimera, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.46 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
|
|
8G3Y
 | | MBP-Mcl1 in complex with ligand 34 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.7 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
|
|
8GSV
 | | Crystal structure of human BAK in complex with the Pxt1 BH3 domain | | Descriptor: | Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1 | | Authors: | Lim, D, Ku, B. | | Deposit date: | 2022-09-07 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1.
Plos Biol., 21, 2023
|
|
8H7B
 | | The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | | Descriptor: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhu, C.J, Zhang, Z.M. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.46408451 Å) | | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
|
|
8HLL
 | | Crystal structure of p53/BCL2 fusion complex (complex 1) | | Descriptor: | Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION | | Authors: | Wei, H, Guo, M, Wang, H, Chen, Y. | | Deposit date: | 2022-11-30 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
|
|
8HLM
 | | Crystal structure of p53/BCL2 fusion complex (complex 2) | | Descriptor: | Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION | | Authors: | Guo, M, Wang, H, Wei, H, Chen, Y. | | Deposit date: | 2022-11-30 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.522 Å) | | Cite: | Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
|
|
8HLN
 | | Crystal structure of p53/BCL2 fusion complex(complex3) | | Descriptor: | Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION | | Authors: | Guo, M, Wei, H, Wang, H, Chen, Y. | | Deposit date: | 2022-11-30 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.354 Å) | | Cite: | Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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 | | Method: | SOLUTION NMR | | Cite: | Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove.
Commun Biol, 6, 2023
|
|
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
|
|
8SM5
 | |
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 | | 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., 2023
|
|
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 | | 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., 2023
|
|
8SPZ
 | |
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 | | 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., 2023
|
|
