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5FDR
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BU of 5fdr by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
6L8V
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BU of 6l8v by Molmil
membrane-bound Bax helix2-helix5 domain
分子名称: Apoptosis regulator BAX
著者OuYang, B, Lv, F.
登録日2019-11-07
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane.
Embo J., 40, 2021
5IF4
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BU of 5if4 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5FDO
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BU of 5fdo by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
6MBB
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BU of 6mbb by Molmil
Human Bfl-1 in complex with the designed peptide dF1
分子名称: Bcl-2-related protein A1, dF1
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 (1.59 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
5IEZ
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BU of 5iez by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
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
8IGC
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BU of 8igc by Molmil
Crystal structure of Bak bound to Bnip5 BH3
分子名称: Bcl-2 homologous antagonist/killer, Protein BNIP5
著者Ku, B, Lim, D.
登録日2023-02-20
公開日2023-09-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Crystal structure of Bak bound to the BH3 domain of Bnip5, a noncanonical BH3 domain-containing protein.
Proteins, 92, 2024
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
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
分子名称: Bcl2 modifying factor, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Wang, H, Guo, M, Wei, H, Chen, Y.
登録日2023-03-16
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.967 Å)
主引用文献Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins.
Comput Struct Biotechnol J, 21, 2023
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
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
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
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
8RPO
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BU of 8rpo by Molmil
BFL1 in complex with a reversible covalent ligand
分子名称: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
著者Hargreaves, D.
登録日2024-01-16
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献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
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
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
最終更新日2024-06-19
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., 291, 2024
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
最終更新日2024-06-19
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., 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
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
最終更新日2024-06-19
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., 291, 2024
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
最終更新日2024-06-19
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., 291, 2024
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
最終更新日2024-06-19
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., 291, 2024

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