1R2I
 
 | | Human Bcl-XL containing a Phe to Leu mutation at position 146 | | Descriptor: | Apoptosis regulator Bcl-X | | Authors: | O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M. | | Deposit date: | 2003-09-26 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
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1R2E
 | | Human Bcl-XL containing a Glu to Leu mutation at position 92 | | Descriptor: | Apoptosis regulator Bcl-X | | Authors: | O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M. | | Deposit date: | 2003-09-26 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
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6YBL
 | | Structure of MBP-Mcl-1 in complex with compound 9m | | 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: | 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
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6YBJ
 | | Structure of MBP-Mcl-1 in complex with compound 3e | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,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 (2.5 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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1R2H
 | | Human Bcl-XL containing an Ala to Leu mutation at position 142 | | Descriptor: | Apoptosis regulator Bcl-X | | Authors: | O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M. | | Deposit date: | 2003-09-26 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
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1R2D
 | | Structure of Human Bcl-XL at 1.95 Angstroms | | Descriptor: | Apoptosis regulator Bcl-X | | Authors: | O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M. | | Deposit date: | 2003-09-26 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
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6YLI
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4EHR
 | | Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide | | Descriptor: | 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide, Bcl-2-like protein 1, IMIDAZOLE | | Authors: | Schroeder, G.M, Wei, D, Banfi, P, Cai, Z, Lippy, J, Menichincheri, M, Modugno, M, Naglich, J, Penhallow, B, Perez, H.L, Sack, J, Schmidt, R.J, Tebben, A, Yan, C, Zhang, L, Galvani, A, Lombardo, L.J, Borzilleri, R.M. | | Deposit date: | 2012-04-03 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
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1TY4
 | | Crystal structure of a CED-9/EGL-1 complex | | Descriptor: | Apoptosis regulator ced-9, EGg Laying defective EGL-1, programmed cell death activator | | Authors: | Yan, N, Gu, L, Kokel, D, Xue, D, Shi, Y. | | Deposit date: | 2004-07-07 | | Release date: | 2004-09-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4
Mol.Cell, 15, 2004
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3CVA
 | | Human Bcl-xL containing a Trp to Ala mutation at position 137 | | Descriptor: | Apoptosis regulator Bcl-X | | Authors: | Feng, Y, Zhang, L, Hu, T, Shen, X, Chen, K, Jiang, H, Liu, D. | | Deposit date: | 2008-04-18 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A conserved hydrophobic core at Bcl-x(L) mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein
Arch.Biochem.Biophys., 484, 2009
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4HNJ
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4WGI
 | | A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | | Descriptor: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | | Deposit date: | 2014-09-18 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
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4WMW
 | | The structure of MBP-MCL1 bound to ligand 5 at 1.9A | | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMS
 | | STRUCTURE OF APO MBP-MCL1 AT 1.9A | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMX
 | | The structure of MBP-MCL1 bound to ligand 6 at 2.0A | | Descriptor: | 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMV
 | | STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A | | Descriptor: | 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Moulin, A. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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6DM8
 | | Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors | | 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 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhao, B. | | Deposit date: | 2018-06-04 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
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4WMT
 | | STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A | | Descriptor: | 1,2-ETHANEDIOL, 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, FORMIC ACID, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMU
 | | STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A | | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | | Authors: | Clifton, M.C, Faiman, J.W. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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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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4IEH
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6DCN
 | | Bcl-xL complex with Beclin 1 BH3 domain T108pThr | | Descriptor: | BCL-xl protein, Beclin-1 | | Authors: | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | | Deposit date: | 2018-05-07 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.444 Å) | | Cite: | Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
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6DCO
 | | Bcl-xL complex with Beclin 1 BH3 domain T108D | | Descriptor: | Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION | | Authors: | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | | Deposit date: | 2018-05-07 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
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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 | | 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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7WJH
 | | Crystal structure of Bcl-xL bound to the BH3 domain of human Pxt1 | | Descriptor: | Bcl-2-like protein 1, MAGNESIUM ION, Peroxisomal testis-specific protein 1, ... | | Authors: | Lim, D, Ku, B. | | Deposit date: | 2022-01-06 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Structural and biochemical analyses of Bcl-xL in complex with the BH3 domain of peroxisomal testis-specific 1.
Biochem.Biophys.Res.Commun., 625, 2022
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