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PDB: 414 件

6CKV
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BU of 6ckv by Molmil
Solution NMR structure of human BOK
分子名称: Bcl-2-related ovarian killer protein
著者Grace, C.R, Zheng, J, Moldoveanu, T.
登録日2018-03-01
公開日2018-05-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Intrinsic Instability of BOK Enables Membrane Permeabilization in Apoptosis.
Cell Rep, 23, 2018
7XGE
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BU of 7xge by Molmil
Crystal structure of MCL-1 in complex with computationally designed inhibitor protein
分子名称: BCL-xL and MCL-1 dual binder 2, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Oh, B.-H, Kim, S.
登録日2022-04-04
公開日2022-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Computational design of an apoptogenic protein that binds BCL-xL and MCL-1 simultaneously and potently.
Comput Struct Biotechnol J, 20, 2022
3WIY
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BU of 3wiy by Molmil
Crystal structure of Mcl-1 in complex with compound 10
分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIX
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BU of 3wix by Molmil
Crystal structure of Mcl-1 in complex with compound 4
分子名称: 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
2ROC
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BU of 2roc by Molmil
Solution structure of Mcl-1 Complexed with Puma
分子名称: Bcl-2-binding component 3, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
著者Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G.
登録日2008-03-17
公開日2008-07-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1
J.Mol.Biol., 380, 2008
8SM5
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BU of 8sm5 by Molmil
Crystal Structure of BHRF1 from Epstein Barr Virus in complex with BID BH3 peptide
分子名称: Apoptosis regulator BHRF1, BID BH3
著者Wyatt, S, Sinha, S.
登録日2023-04-25
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.61002612 Å)
主引用文献Epstein-Barr Virus Encoded BCL2, BHRF1, Downregulates Autophagy by Noncanonical Binding of BECN1.
Biochemistry, 62, 2023
8SRY
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BU of 8sry by Molmil
Crystal structure of BAK-BAX heterodimer with C12E8
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ...
著者Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
登録日2023-05-08
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SRX
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BU of 8srx by Molmil
Crystal structure of BAK-BAX heterodimer with lysoPC
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ...
著者Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
登録日2023-05-07
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SPZ
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BU of 8spz by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
登録日2023-05-04
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
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
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ...
著者Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M.
登録日2023-05-03
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SVK
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BU of 8svk by Molmil
Crystal structure of Bax D71N core domain BH3-groove dimer
分子名称: Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Miller, M.S, Czabotar, P.E, Colman, P.M.
登録日2023-05-16
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
著者Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2023-05-03
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
2VOG
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BU of 2vog by Molmil
Structure of mouse A1 bound to the Bmf BH3-domain
分子名称: BCL-2-MODIFYING FACTOR, BCL-2-RELATED PROTEIN A1, CHLORIDE ION
著者Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L.
登録日2008-02-17
公開日2008-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
2VOI
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BU of 2voi by Molmil
Structure of mouse A1 bound to the Bid BH3-domain
分子名称: BCL-2-RELATED PROTEIN A1, BH3-INTERACTING DOMAIN DEATH AGONIST P13, CHLORIDE ION
著者Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L.
登録日2008-02-17
公開日2008-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
2VOH
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BU of 2voh by Molmil
Structure of mouse A1 bound to the Bak BH3-domain
分子名称: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-2-RELATED PROTEIN A1, CITRIC ACID, ...
著者Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L.
登録日2008-02-17
公開日2008-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
8UKY
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BU of 8uky by Molmil
Crystal structure of BAK in complex with inhibiting antibody 14G6
分子名称: 1,2-ETHANEDIOL, 14G6 Fab heavy chain, 14G6 Fab light chain, ...
著者Miller, M.S, Czabotar, P.E.
登録日2023-10-15
公開日2024-04-10
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献A novel inhibitory BAK antibody enables assessment of non-activated BAK in cancer cells.
Cell Death Differ., 2024
2VOF
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BU of 2vof by Molmil
Structure of mouse A1 bound to the Puma BH3-domain
分子名称: BCL-2-BINDING COMPONENT 3, BCL-2-RELATED PROTEIN A1, CHLORIDE ION
著者Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L.
登録日2008-02-17
公開日2008-03-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
6MBE
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BU of 6mbe by Molmil
Human Mcl-1 in complex with the designed peptide dM7
分子名称: CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7
著者Jenson, J.M, Keating, A.E.
登録日2018-08-29
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
6MCY
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BU of 6mcy by Molmil
Crystal structure of mouse Bak
分子名称: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID
著者Brouwer, J.M, Czabotar, P.E, Colman, P.M.
登録日2018-09-03
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
6MBD
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BU of 6mbd by Molmil
Human Mcl-1 in complex with the designed peptide dM1
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1
著者Jenson, J.M, Keating, A.E.
登録日2018-08-29
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
6MBC
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BU of 6mbc by Molmil
Human Bfl-1 in complex with the designed peptide dF4
分子名称: Bcl-2-related protein A1, dF4
著者Jenson, J.M, Keating, A.E.
登録日2018-08-29
公開日2019-03-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
6NE5
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BU of 6ne5 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer
分子名称: 3-[(4R)-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]-1-methyl-1H-indole-5-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2018-12-17
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62, 2019
6O6F
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BU of 6o6f by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (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
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6ODH
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BU of 6odh by Molmil
BH3 domain swapped dimer of a BAK fragment
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bcl-2 homologous antagonist/killer, DI(HYDROXYETHYL)ETHER, ...
著者Liu, L.-K.
登録日2019-03-26
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A BAK fragment that binds mitochondrial lipids and releases cytochrome c
To Be Published
6O4U
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BU of 6o4u by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-03-01
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational Restriction Toward the Discovery of Macrocyclic MCL1 Inhibitors that Display Efficacy in Mouse Xenograft Models
To Be Published

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件を2024-06-12に公開中

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