5MES
 
 | | 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
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5MEV
 | | 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
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7P33
 | | 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
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7P9W
 | | 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
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8AV9
 | | 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 | | 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
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1F16
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1K3K
 | | 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: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a Bcl-2 homolog from Kaposi sarcoma virus.
Proc.Natl.Acad.Sci.USA, 99, 2002
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8CZG
 | | 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
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8CZF
 | | 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
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8CZH
 | | 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
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7QTX
 | | 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 | | 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
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7QTW
 | | 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 | | 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
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3PK1
 | | Crystal structure of Mcl-1 in complex with the BaxBH3 domain | | Descriptor: | Apoptosis regulator BAX, CADMIUM ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Czabotar, P.E, Colman, P.M. | | Deposit date: | 2010-11-11 | | Release date: | 2010-12-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.486 Å) | | Cite: | Mutation to Bax beyond the BH3 domain disrupts interactions with pro-survival proteins and promotes apoptosis
J.Biol.Chem., 286, 2011
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3QBR
 | | BakBH3 in complex with sjA | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Bcl-2 homologous antagonist/killer, SJCHGC06286 protein | | Authors: | Lee, E.F, Clarke, O.B, Fairlie, W.D, Colman, P.M, Evangelista, M, Feng, Z, Speed, T.P, Tchoubrieva, E, Strasser, A, Kalinna, B. | | Deposit date: | 2011-01-13 | | Release date: | 2011-04-13 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Discovery and molecular characterization of a Bcl-2-regulated cell death pathway in schistosomes.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5IF4
 | | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | | Descriptor: | 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 | | Authors: | Zhao, B. | | Deposit date: | 2016-02-25 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
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4S0P
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7M5C
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7M5A
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7M5B
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7LK4
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4S0O
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5IEZ
 | | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | | Descriptor: | 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 | | Authors: | Zhao, B. | | Deposit date: | 2016-02-25 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
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4U2U
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7JMT
 | | Crystal structure of schistosome BCL-2 bound to ABT-737 | | Descriptor: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein | | Authors: | Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D. | | Deposit date: | 2020-08-02 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
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5JSB
 | | Crystal structure of Mcl1-inhibitor complex | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | | Authors: | Shen, B.W, Stoddard, B.L. | | Deposit date: | 2016-05-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
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