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2IMS
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BU of 2ims by Molmil
The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site
Descriptor: Apoptosis regulator BAK, ZINC ION
Authors:Moldoveanu, T, Liu, Q, Tocilj, A, Watson, M, Shore, G.C, Gehring, K.B.
Deposit date:2006-10-04
Release date:2006-12-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The X-Ray Structure of a BAK Homodimer Reveals an Inhibitory Zinc Binding Site
Mol.Cell, 24, 2006
2JCN
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BU of 2jcn by Molmil
The crystal structure of BAK1 - a mitochondrial apoptosis regulator
Descriptor: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, SULFATE ION
Authors:Moche, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Lundgren, S, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2006-12-27
Release date:2007-01-04
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of Bak1 - an Apoptosis Trigger in the Mitochondrial Outer Membrane
To be Published
2KBW
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BU of 2kbw by Molmil
Solution Structure of human Mcl-1 complexed with human Bid_BH3 peptide
Descriptor: BH3-interacting domain death agonist, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Liu, Q, Moldoveanu, T, Sprules, T, Matta-Camacho, E, Mansur-Azzam, N, Gehring, K.
Deposit date:2008-12-09
Release date:2009-12-15
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Apoptotic regulation by MCL-1 through heterodimerization.
J.Biol.Chem., 285, 2010
2KUA
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BU of 2kua by Molmil
Solution structure of a divergent Bcl-2 protein
Descriptor: Bcl-2-like protein 10
Authors:Rautureau, G.J, Day, C.L, Hinds, M.G.
Deposit date:2010-02-16
Release date:2010-03-23
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The structure of Boo/Diva reveals a divergent Bcl-2 protein.
Proteins, 78, 2010
2LR1
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BU of 2lr1 by Molmil
Structural Mechanism for Bax Inhibition by Cytomegalovirus Protein vMIA
Descriptor: Apoptosis regulator BAX, Immediate early glycoprotein
Authors:Ma, J.
Deposit date:2012-03-20
Release date:2012-12-05
Last modified:2017-02-22
Method:SOLUTION NMR
Cite:Structural mechanism of Bax inhibition by cytomegalovirus protein vMIA.
Proc.Natl.Acad.Sci.USA, 109, 2012
6HJL
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BU of 6hjl by Molmil
Affimer:BclxL
Descriptor: Affimer ADB13, Bcl-2-like protein 1
Authors:Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A.
Deposit date:2018-09-04
Release date:2020-03-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
7XGE
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BU of 7xge by Molmil
Crystal structure of MCL-1 in complex with computationally designed inhibitor protein
Descriptor: BCL-xL and MCL-1 dual binder 2, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Oh, B.-H, Kim, S.
Deposit date:2022-04-04
Release date:2022-07-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Computational design of an apoptogenic protein that binds BCL-xL and MCL-1 simultaneously and potently.
Comput Struct Biotechnol J, 20, 2022
1Q59
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BU of 1q59 by Molmil
Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2
Descriptor: Early antigen protein R
Authors:Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T.
Deposit date:2003-08-06
Release date:2003-09-23
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2
J.Mol.Biol., 332, 2003
6L8V
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BU of 6l8v by Molmil
membrane-bound Bax helix2-helix5 domain
Descriptor: Apoptosis regulator BAX
Authors:OuYang, B, Lv, F.
Deposit date:2019-11-07
Release date:2020-11-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane.
Embo J., 40, 2021
6MBB
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BU of 6mbb by Molmil
Human Bfl-1 in complex with the designed peptide dF1
Descriptor: Bcl-2-related protein A1, dF1
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
6MBE
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BU of 6mbe by Molmil
Human Mcl-1 in complex with the designed peptide dM7
Descriptor: CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M.
Deposit date:2018-09-03
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.748 Å)
Cite: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
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Bcl-2-related protein A1, dF4
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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
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
8SRX
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BU of 8srx by Molmil
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
8SVK
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BU of 8svk by Molmil
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
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., 2023
8SRY
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BU of 8sry by Molmil
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
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., 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
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
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., 2023
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
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
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
5C3F
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BU of 5c3f by Molmil
Crystal structure of Mcl-1 bound to BID-MM
Descriptor: BID-MM, GLYCEROL, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J.
Deposit date:2015-06-17
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Hydrocarbon constrained peptides - understanding preorganisation and binding affinity.
Chem Sci, 7, 2016
5C6H
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BU of 5c6h by Molmil
Mcl-1 complexed with Mule
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1
Authors:Song, T, Wang, Z, Ji, F, Chai, G, Liu, Y, Li, X, Li, Z, Fan, Y, Zhang, Z.
Deposit date:2015-06-23
Release date:2016-08-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of Mcl-1 complexed with Mule at 2.05 Angstroms resolution
To Be Published
5FDO
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BU of 5fdo by Molmil
Mcl-1 complexed with small molecule inhibitor
Descriptor: 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-12-16
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5FC4
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BU of 5fc4 by Molmil
Mcl-1 complexed with small molecule inhibitor
Descriptor: 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-12-14
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016

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