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9BCG
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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
8XP5
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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
8WLS
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BU of 8wls by Molmil
Bcl-xL in complex with HBx BH3 delta C peptide
Descriptor: Bcl-2-like protein 1, Protein X
Authors:Kobayashi, N, Nagata, T, Kusunoki, H.
Deposit date:2023-10-01
Release date:2024-03-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Interaction between the C-Terminal-Deleted BH3-like Motif Peptide of Hepatitis B Virus X Protein and Bcl-x L.
Biochemistry, 63, 2024
8VJP
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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
8UKY
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Crystal structure of BAK in complex with inhibiting antibody 14G6
Descriptor: 1,2-ETHANEDIOL, 14G6 Fab heavy chain, 14G6 Fab light chain, ...
Authors:Miller, M.S, Czabotar, P.E.
Deposit date:2023-10-15
Release date:2024-04-10
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:A novel inhibitory BAK antibody enables assessment of non-activated BAK in cancer cells.
Cell Death Differ., 31, 2024
8U27
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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
8T6F
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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
8SVY
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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
8SVK
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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
8SRY
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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
8SRX
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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
8SPZ
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BU of 8spz by Molmil
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
8SPF
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BU of 8spf by Molmil
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
8SPE
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BU of 8spe by Molmil
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
8SM5
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BU of 8sm5 by Molmil
Crystal Structure of BHRF1 from Epstein Barr Virus in complex with BID BH3 peptide
Descriptor: Apoptosis regulator BHRF1, BID BH3
Authors:Wyatt, S, Sinha, S.
Deposit date:2023-04-25
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.61002612 Å)
Cite:Epstein-Barr Virus Encoded BCL2, BHRF1, Downregulates Autophagy by Noncanonical Binding of BECN1.
Biochemistry, 62, 2023
8RPO
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BU of 8rpo by Molmil
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
8QSO
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BU of 8qso by Molmil
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
8IVB
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BU of 8ivb by Molmil
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
8IQM
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BU of 8iqm by Molmil
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
8IQL
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BU of 8iql by Molmil
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
8IQK
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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
8IGC
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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
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTR
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Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HOI
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Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024

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PDB entries from 2024-09-18

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