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6YBG
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Structure of Mcl-1 in complex with compound 2g
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Surgenor, A.E, Murray, J.B.
Deposit date:2020-03-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
2YV6
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BU of 2yv6 by Molmil
Crystal structure of human Bcl-2 family protein Bak
Descriptor: Bcl-2 homologous antagonist/killer, SULFATE ION
Authors:Wang, H, Kishishita, S, Murayama, K, Takemoto, C, Terada, T, Shirouzu, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-09
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel dimerization mode of the human Bcl-2 family protein Bak, a mitochondrial apoptosis regulator.
J.Struct.Biol., 166, 2009
6YLD
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BU of 6yld by Molmil
Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ...
Authors:D Sa, J, Banjara, S, Kvansakul, M.
Deposit date:2020-04-07
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis.
Sci Adv, 6, 2020
4HW2
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BU of 4hw2 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
6ZIE
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BU of 6zie by Molmil
Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B
Descriptor: CMPX-383B, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Pannecoucke, E, Savvides, S.N, Desmet, J, Lasters, I.
Deposit date:2020-06-25
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cell-penetrating Alphabody protein scaffolds for intracellular drug targeting.
Sci Adv, 7, 2021
2XPX
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BU of 2xpx by Molmil
Crystal structure of BHRF1:Bak BH3 complex
Descriptor: 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BHRF1, BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ...
Authors:Kvansakul, M, Huang, D.C.S, Colman, P.M.
Deposit date:2010-08-31
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis for Apoptosis Inhibition by Epstein-Barr Virus Bhrf1.
Plos Pathog., 6, 2010
4HW3
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BU of 4hw3 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4HW4
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BU of 4hw4 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A, Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
7LK4
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BU of 7lk4 by Molmil
Crystal structure of BAK L100A in complex with activating antibody fragments
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7D10 antibody VH fragment, 7D10 antibody VL fragment, ...
Authors:Robin, Y.A, Colman, P.M.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the BAK-activating antibody 7D10 bound to BAK reveals an unexpected role for the alpha 1-alpha 2 loop in BAK activation.
Cell Death Differ., 29, 2022
4WMR
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BU of 4wmr by Molmil
STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A
Descriptor: 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ...
Authors:CLIFTON, M.C, EDWARDS, T.E.
Deposit date:2014-10-09
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
7M5B
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BU of 7m5b by Molmil
Crystal Structure of human BAK in complex with M3W5_BID
Descriptor: BH3-interacting domain death agonist p15, Bcl-2 homologous antagonist/killer, COPPER (II) ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
7M5C
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BU of 7m5c by Molmil
Crystal Structure of human BAK in complex with WT BAK BH3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, COPPER (II) ION, SULFATE ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
7M5A
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BU of 7m5a by Molmil
Crystal Structure of human BAK in complex with W3W5_BID
Descriptor: BH3-interacting domain death agonist p15, Bcl-2 homologous antagonist/killer
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
7NB4
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BU of 7nb4 by Molmil
Structure of Mcl-1 complex with compound 1
Descriptor: (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
7NB7
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BU of 7nb7 by Molmil
Structure of Mcl-1 complex with compound 6b
Descriptor: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
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:2024-05-22
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
6CKV
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BU of 6ckv by Molmil
Solution NMR structure of human BOK
Descriptor: Bcl-2-related ovarian killer protein
Authors:Grace, C.R, Zheng, J, Moldoveanu, T.
Deposit date:2018-03-01
Release date:2018-05-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intrinsic Instability of BOK Enables Membrane Permeabilization in Apoptosis.
Cell Rep, 23, 2018
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:2024-05-15
Method:SOLUTION NMR
Cite:An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane.
Embo J., 40, 2021
6E3J
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BU of 6e3j by Molmil
Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F10
Descriptor: Bcl-2-related protein A1, SULFATE ION, peptide srt.F10
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-07-14
Release date:2018-10-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Peptide design by optimization on a data-parameterized protein interaction landscape.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E3I
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BU of 6e3i by Molmil
Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F4
Descriptor: Bcl-2-related protein A1, SULFATE ION, peptide srt.F4
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-07-14
Release date:2018-10-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Peptide design by optimization on a data-parameterized protein interaction landscape.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BW8
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BU of 6bw8 by Molmil
Mcl-1 complexed with small molecules
Descriptor: 7-{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-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
4S0O
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BU of 4s0o by Molmil
Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (I)
Descriptor: Apoptosis regulator BAX
Authors:Priyadarshi, A, Gavathiotis, E.
Deposit date:2015-01-02
Release date:2016-07-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Autoinhibited Dimeric Form of BAX Regulates the BAX Activation Pathway.
Mol.Cell, 63, 2016
6BW2
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BU of 6bw2 by Molmil
Mcl-1 complexed with small molecules
Descriptor: 3-({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}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
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
4S0P
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BU of 4s0p by Molmil
Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (II)
Descriptor: Apoptosis regulator BAX
Authors:Priyadarshi, A, Gavathiotis, E.
Deposit date:2015-01-04
Release date:2016-07-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.252 Å)
Cite:An Autoinhibited Dimeric Form of BAX Regulates the BAX Activation Pathway.
Mol.Cell, 63, 2016

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