6OQB
 
 | | Co-crystal structure of Mcl1 with inhibitor 10 | | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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6O6G
 | | Co-crystal structure of Mcl1 with inhibitor | | Descriptor: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-03-06 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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6OVC
 | | hMcl1 inhibitor complex | | Descriptor: | (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Poppe, L. | | Deposit date: | 2019-05-07 | | Release date: | 2019-05-22 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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6OQC
 | | Crystal structure of Mcl1 with inhibitor 9 | | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
CANCER DISCOV, 8, 2018
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6P3P
 | | 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
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6QB6
 | | Mcl1 in complex with a Fab | | Descriptor: | Fab Heavy Chain, Fab Light Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Hargreaves, D. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-06 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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6QB3
 | | Apo Mcl1 in a complex with a scFv | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | | Authors: | Kazmirski, S, Hargreaves, D. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-06 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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6QB4
 | | Mcl1-scFv complex with an indole acid inhibitor | | Descriptor: | 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | | Authors: | Hargreaves, D. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-06 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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6QFC
 | | Structure of an anti-Mcl1 scFv | | Descriptor: | DIMETHYL SULFOXIDE, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | | Authors: | Luptak, J. | | Deposit date: | 2019-01-09 | | Release date: | 2019-11-06 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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6QFQ
 | | Structure of human Mcl-1 in complex with indole acid inhibitor | | Descriptor: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QFM
 | | Structure of human Mcl-1 in complex with PUMA BH3 peptide | | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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7CA4
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2A5Y
 | | Structure of a CED-4/CED-9 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Apoptosis regulator ced-9, MAGNESIUM ION, ... | | Authors: | Yan, N, Liu, Q, Hao, Q, Gu, L, Shi, Y. | | Deposit date: | 2005-07-01 | | Release date: | 2005-10-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the CED-4-CED-9 complex provides insights into programmed cell death in Caenorhabditis elegans.
Nature, 437, 2005
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2B48
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2BZW
 | | The crystal structure of BCL-XL in complex with full-length BAD | | Descriptor: | APOPTOSIS REGULATOR BCL-X, BCL2-ANTAGONIST OF CELL DEATH | | Authors: | Lee, K.-H, Han, W.-D, Kim, K.-J, Oh, B.-H. | | Deposit date: | 2005-08-24 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biochemical Bases for the Inhibition of Autophagy and Apoptosis by Viral Bcl-2 of Murine Gamma-Herpesvirus 68.
Plos Pathog., 4, 2008
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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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3D7V
 | | Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D. | | Deposit date: | 2008-05-22 | | Release date: | 2008-06-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation.
J.Cell Biol., 180, 2008
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1GJH
 | | HUMAN BCL-2, ISOFORM 2 | | Descriptor: | PROTEIN (APOPTOSIS REGULATOR BCL-2 WITH PUTATIVE FLEXIBLE LOOP REPLACED WITH A PORTION OF APOPTOSIS REGULATOR BCL-X PROTEIN) | | Authors: | Petros, A.M, Medek, A, Nettesheim, D.G, Kim, D.H, Yoon, H.S, Swift, K, Matayoshi, E.D, Oltersdorf, T, Fesik, S.W. | | Deposit date: | 2001-05-31 | | Release date: | 2001-06-13 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the antiapoptotic protein bcl-2.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1G5J
 | | COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD | | Descriptor: | APOPTOSIS REGULATOR BCL-X, BAD PROTEIN | | Authors: | Petros, A.M, Nettesheim, D.G, Wang, Y, Olejniczak, E.T, Meadows, R.P, Mack, J, Swift, K, Matayoshi, E.D, Zhang, H, Thompson, C.B, Fesik, S.W. | | Deposit date: | 2000-11-01 | | Release date: | 2001-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies.
Protein Sci., 9, 2000
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1G5M
 | | HUMAN BCL-2, ISOFORM 1 | | Descriptor: | PROTEIN (APOPTOSIS REGULATOR BCL-2 WITH PUTATIVE FLEXIBLE LOOP REPLACED WITH A PORTION OF APOPTOSIS REGULATOR BCL-X PROTEIN) | | Authors: | Petros, A.M, Medek, A, Nettesheim, D.G, Kim, D.H, Yoon, H.S, Swift, K, Matayoshi, E.D, Oltersdorf, T, Fesik, S.W. | | Deposit date: | 2000-11-01 | | Release date: | 2001-03-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the antiapoptotic protein bcl-2.
Proc.Natl.Acad.Sci.USA, 98, 2001
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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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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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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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1MK3
 | | SOLUTION STRUCTURE OF HUMAN BCL-W PROTEIN | | Descriptor: | Apoptosis regulator Bcl-W | | Authors: | Denisov, A.Y, Madiraju, M.S, Chen, G, Khadir, A, Beauparlant, P, Attardo, G, Shore, G.C, Gehring, K. | | Deposit date: | 2002-08-28 | | Release date: | 2003-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human BCL-w: modulation of ligand binding by the C-terminal helix
J.BIOL.CHEM., 278, 2003
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7XGF
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