7YA5
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![BU of 7ya5 by Molmil](/molmil-images/mine/7ya5) | Crystal structure analysis of cp1 bound BCL2/G101V | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-27 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7YB7
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![BU of 7yb7 by Molmil](/molmil-images/mine/7yb7) | anti-apoptotic protein BCL-2-M12 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide | Authors: | Li, F.W, Liu, C, Wu, D.L. | Deposit date: | 2022-06-29 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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2ROD
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![BU of 2rod by Molmil](/molmil-images/mine/2rod) | Solution Structure of MCL-1 Complexed with NoxaA | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa | Authors: | Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 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
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2V6Q
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2VM6
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![BU of 2vm6 by Molmil](/molmil-images/mine/2vm6) | Human Bcl2-A1 in complex with Bim-BH3 peptide | Descriptor: | BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION | Authors: | Herman, M.D, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-23 | Release date: | 2008-02-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim. FEBS Lett., 582, 2008
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2W3L
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![BU of 2w3l by Molmil](/molmil-images/mine/2w3l) | Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex | Descriptor: | 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2 | Authors: | Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M. | Deposit date: | 2008-11-13 | Release date: | 2008-12-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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2XA0
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![BU of 2xa0 by Molmil](/molmil-images/mine/2xa0) | Crystal structure of BCL-2 in complex with a BAX BH3 peptide | Descriptor: | APOPTOSIS REGULATOR BAX, APOPTOSIS REGULATOR BCL-2 | Authors: | Ku, B, Oh, B.H. | Deposit date: | 2010-03-25 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Evidence that Inhibition of Bax Activation by Bcl- 2 Involves its Tight and Preferential Interaction with the Bh3 Domain of Bax. Cell Res., 21, 2011
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2WH6
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![BU of 2wh6 by Molmil](/molmil-images/mine/2wh6) | Crystal structure of anti-apoptotic BHRF1 in complex with the Bim BH3 domain | Descriptor: | BCL-2-LIKE PROTEIN 11, BROMIDE ION, EARLY ANTIGEN PROTEIN R, ... | Authors: | Kvansakul, M, Huang, D.C.S, Colman, P.M. | Deposit date: | 2009-05-01 | Release date: | 2010-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for apoptosis inhibition by Epstein-Barr virus BHRF1. PLoS Pathog., 6, 2010
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8QSO
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![BU of 8qso by Molmil](/molmil-images/mine/8qso) | Crystal structure of human Mcl-1 in complex with compound 1 | Descriptor: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | Deposit date: | 2023-10-10 | Release date: | 2024-02-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen. J.Med.Chem., 67, 2024
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8SVY
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![BU of 8svy by Molmil](/molmil-images/mine/8svy) | MBP-Mcl1 in complex with ligand 10 | Descriptor: | (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-05-17 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1. Acs Med.Chem.Lett., 14, 2023
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8T6F
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![BU of 8t6f by Molmil](/molmil-images/mine/8t6f) | Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor | Descriptor: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Poncet-Montange, G, Lemke, C.T. | Deposit date: | 2023-06-15 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | BRD810 is a novel highly selective MCL1 inhibitor with optimized in vivo clearance and robust efficacy in solid and hematological tumor models to be published
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8U27
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![BU of 8u27 by Molmil](/molmil-images/mine/8u27) | Bcl-2-xL complexed with compound 35 | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | Authors: | Rizo, J, Pan, Y.-Z. | Deposit date: | 2023-09-05 | Release date: | 2023-09-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights for selective disruption of Beclin 1 binding to Bcl-2. Commun Biol, 6, 2023
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3FDL
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![BU of 3fdl by Molmil](/molmil-images/mine/3fdl) | Bim BH3 peptide in complex with Bcl-xL | Descriptor: | Apoptosis regulator Bcl-X, Bcl-2-like protein 11 | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | Deposit date: | 2008-11-26 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L) Angew.Chem.Int.Ed.Engl., 48, 2009
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3FDM
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![BU of 3fdm by Molmil](/molmil-images/mine/3fdm) | alpha/beta foldamer in complex with Bcl-xL | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator Bcl-X, alpha/beta-peptide foldamer | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M, Sadowsky, J.D, Peterson-Kaufman, K.J, Gellman, S.H. | Deposit date: | 2008-11-26 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L) Angew.Chem.Int.Ed.Engl., 48, 2009
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8EL0
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![BU of 8el0 by Molmil](/molmil-images/mine/8el0) | Structure of MBP-Mcl-1 in complex with a macrocyclic compound | Descriptor: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EL1
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![BU of 8el1 by Molmil](/molmil-images/mine/8el1) | Structure of MBP-Mcl-1 in complex with ABBV-467 | Descriptor: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EKX
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![BU of 8ekx by Molmil](/molmil-images/mine/8ekx) | Structure of MBP-Mcl-1 in complex with MIK665 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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4YK9
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![BU of 4yk9 by Molmil](/molmil-images/mine/4yk9) | |
4ZIF
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![BU of 4zif by Molmil](/molmil-images/mine/4zif) | Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini | Descriptor: | Apoptosis regulator BAX, Bcl-2-like protein 11 | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2015-04-28 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis, 6, 2015
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8GSV
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![BU of 8gsv by Molmil](/molmil-images/mine/8gsv) | Crystal structure of human BAK in complex with the Pxt1 BH3 domain | Descriptor: | Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1 | Authors: | Lim, D, Ku, B. | Deposit date: | 2022-09-07 | Release date: | 2023-05-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1. Plos Biol., 21, 2023
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4Z9V
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![BU of 4z9v by Molmil](/molmil-images/mine/4z9v) | TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL | Descriptor: | BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ... | Authors: | Cura, V, Agez, M, Thebault, S, Cavarelli, J. | Deposit date: | 2015-04-12 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL. Sci Rep, 6, 2016
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4ZIE
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![BU of 4zie by Molmil](/molmil-images/mine/4zie) | Crystal Structure of core/latch dimer of Bax in complex with BimBH3 | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2-like protein 11 | Authors: | Krishna Kumar, K, Robin, A.Y, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2015-04-28 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis, 6, 2015
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4ZIH
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![BU of 4zih by Molmil](/molmil-images/mine/4zih) | Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini | Descriptor: | Apoptosis regulator BAX, Bcl-2-like protein 11 | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2015-04-28 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis, 6, 2015
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3IHC
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![BU of 3ihc by Molmil](/molmil-images/mine/3ihc) | |
3INQ
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![BU of 3inq by Molmil](/molmil-images/mine/3inq) | Crystal structure of BCL-XL in complex with W1191542 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ... | Authors: | Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F. | Deposit date: | 2009-08-12 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands J. Biol. Chem., 284, 2009
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