6O0P
 
 | | crystal structure of BCL-2 G101A mutation with venetoclax | | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER | | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-02-17 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
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6O0O
 | | crystal structure of BCL-2 G101V mutation with S55746 | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-02-17 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
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4A1U
 | | Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL | | Descriptor: | ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ... | | Authors: | Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2011-09-20 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
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4A1W
 | | Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL | | Descriptor: | ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1 | | Authors: | Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2011-09-20 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
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3WIZ
 | | Crystal structure of Bcl-xL in complex with compound 10 | | Descriptor: | 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Bcl-2-like protein 1, PHOSPHATE ION | | 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 (2.45 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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4PPI
 | | Crystal structure of Bcl-xL hexamer | | Descriptor: | Bcl-2-like protein 1, GLYCEROL | | Authors: | Sreekanth, R, Yoon, H.S. | | Deposit date: | 2014-02-27 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.851 Å) | | Cite: | Structural transition in Bcl-xL and its potential association with mitochondrial calcium ion transport
Sci Rep, 5, 2015
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4AQ3
 | | HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR | | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide | | Authors: | Bertrand, J.A, Fasolini, M, Modugno, M. | | Deposit date: | 2012-04-12 | | Release date: | 2012-06-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
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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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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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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
 | | 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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2V6Q
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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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8WLS
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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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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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8XP5
 | | The Crystal Structure of p53/BCL-xL fusion complex from Biortus. | | Descriptor: | Bcl-2-like protein 1,Cellular tumor antigen p53, ZINC ION | | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | | Deposit date: | 2024-01-03 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Crystal Structure of p53/BCL-xL fusion complex from Biortus.
To Be Published
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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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5VAX
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5VAY
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5VAU
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4BPK
 | | Bcl-xL bound to alpha beta Puma BH3 peptide 5 | | Descriptor: | 1,2-ETHANEDIOL, ALPHA BETA BH3-PEPTIDE, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2013-05-27 | | Release date: | 2014-04-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.756 Å) | | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins.
Chembiochem, 14, 2013
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4CIN
 | | Complex of Bcl-xL with its BH3 domain | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | | Deposit date: | 2013-12-12 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
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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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4B4S
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