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5WHI
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Crystal Structure of Bcl-2-related protein A1
Descriptor: Bcl-2-related protein A1, CACODYLIC ACID
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-07-17
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structures of Anti-apoptotic BFL-1 and Its Complex with a Covalent Stapled Peptide Inhibitor.
Structure, 26, 2018
6VO4
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Crystal Structure Analysis of BFL1
Descriptor: Bcl-2-related protein A1
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2020-01-29
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Identification of a Covalent Molecular Inhibitor of Anti-apoptotic BFL-1 by Disulfide Tethering.
Cell Chem Biol, 27, 2020
6P3P
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BU of 6p3p by Molmil
Crystal structure of Mcl-1 in complex with compound 65
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
Authors:Toms, A.V, Follows, B.
Deposit date:2019-05-24
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6FBX
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BU of 6fbx by Molmil
Crystal Structure of a Zebra-fish pro-survival protein NRZ:Bad BH3 complex
Descriptor: BCL2-antagonist of cell death, BCL2-like 10
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2017-12-20
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:A structural investigation of NRZ mediated apoptosis regulation in zebrafish.
Cell Death Dis, 9, 2018
8AV9
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BU of 8av9 by Molmil
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1
Descriptor: (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2022-08-26
Release date:2023-05-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1.
Proc.Natl.Acad.Sci.USA, 120, 2023
1K3K
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BU of 1k3k by Molmil
Solution Structure of a Bcl-2 Homolog from Kaposi's Sarcoma Virus
Descriptor: functional anti-apoptotic factor vBCL-2 homolog
Authors:Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T.
Deposit date:2001-10-03
Release date:2002-04-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a Bcl-2 homolog from Kaposi sarcoma virus.
Proc.Natl.Acad.Sci.USA, 99, 2002
2KBW
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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:2024-05-22
Method:SOLUTION NMR
Cite:Apoptotic regulation by MCL-1 through heterodimerization.
J.Biol.Chem., 285, 2010
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
Descriptor: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
2KUA
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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:2024-05-29
Method:SOLUTION NMR
Cite:The structure of Boo/Diva reveals a divergent Bcl-2 protein.
Proteins, 78, 2010
4G35
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Mcl-1 in complex with a biphenyl cross-linked Noxa peptide.
Descriptor: 4,4'-bis(bromomethyl)biphenyl, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa BH3 peptide (cysteine-mediated cross-linked)
Authors:Drake, E, Edwardraja, S, Lin, Q, Gulick, A.M.
Deposit date:2012-07-13
Release date:2012-12-05
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of proteolytically stable, cell-permeable peptide-based selective Mcl-1 inhibitors.
J.Am.Chem.Soc., 134, 2012
7QTX
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BU of 7qtx by Molmil
Kaposi sarcoma associated herpes virus (KSHV) encoded apoptosis inhibitor, KsBcl-2 in complex with Puma BH3
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Bcl-2, ...
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2022-01-17
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.11598849 Å)
Cite:Structural Insight into KsBcl-2 Mediated Apoptosis Inhibition by Kaposi Sarcoma Associated Herpes Virus.
Viruses, 14, 2022
7QTW
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Kaposi sarcoma associated herpes virus(KSHV) encoded apoptosis inhibitor, KsBcl-2 in complex with Bid BH3
Descriptor: 1,2-ETHANEDIOL, BH3-interacting domain death agonist p15, Bcl-2
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2022-01-17
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural Insight into KsBcl-2 Mediated Apoptosis Inhibition by Kaposi Sarcoma Associated Herpes Virus.
Viruses, 14, 2022
7P33
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BU of 7p33 by Molmil
Epstein-Barr virus encoded Bcl-2 homolog BHRF-1 in complex with Bid BH3 peptide
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, BH3-interacting domain death agonist p15, ...
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2021-07-07
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.78542733 Å)
Cite:Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides.
Viruses, 14, 2022
7P9W
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BU of 7p9w by Molmil
Epstein-Barr virus encoded apoptosis regulator BHRF1 in complex with Puma BH3
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, AMMONIUM ION, ...
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.00010061 Å)
Cite:Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides.
Viruses, 14, 2022
3MK8
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BU of 3mk8 by Molmil
The MCL-1 BH3 Helix is an Exclusive MCL-1 Inhibitor and Apoptosis Sensitizer
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stewart, M, Fire, E, Keating, A.E, Walensky, L.D.
Deposit date:2010-04-14
Release date:2010-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.321 Å)
Cite:The MCL-1 BH3 helix is an exclusive MCL-1 inhibitor and apoptosis sensitizer.
Nat.Chem.Biol., 6, 2010
5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
Descriptor: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
5FC4
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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
5FDR
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BU of 5fdr by Molmil
Mcl-1 complexed with small molecule inhibitor
Descriptor: 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
Authors:Zhao, B.
Deposit date:2015-12-16
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
8CZH
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BU of 8czh by Molmil
Human BAK in complex with the dM2 peptide
Descriptor: Bcl-2 homologous antagonist/killer, DM2 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZF
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BU of 8czf by Molmil
Human BAK in complex with the dF2 peptide
Descriptor: Bcl-2 homologous antagonist/killer, DF2 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZG
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BU of 8czg by Molmil
Human BAK in complex with the dF3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, dF3 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8VJP
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BU of 8vjp by Molmil
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
6B4U
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Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Descriptor: 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Judge, R.A, Souers, A.J.
Deposit date:2017-09-27
Release date:2017-10-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
6B4L
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Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Descriptor: 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Judge, R.A, Souers, A.J.
Deposit date:2017-09-26
Release date:2017-10-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
3WIX
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BU of 3wix by Molmil
Crystal structure of Mcl-1 in complex with compound 4
Descriptor: 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
Authors:Sogabe, S, Igaki, S, Hayano, Y.
Deposit date:2013-09-26
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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

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PDB entries from 2024-09-18

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