8VJP
| Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1 | 分子名称: | (4Z)-oct-4-en-1-ol, (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid, Histidine-covalent stapled alpha-helical peptide, ... | 著者 | Muzzarelli, K.M, Assar, Z, Alboreggia, G, Pellecchia, M. | 登録日 | 2024-01-07 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Histidine-Covalent Stapled Alpha-Helical Peptides Targeting hMcl-1. J.Med.Chem., 67, 2024
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8C8F
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6UDV
| X-ray co-crystal structure of compound 3 bound to human Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-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 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-19 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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8G3S
| MBP-Mcl1 in complex with ligand 11 | 分子名称: | (1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, FORMIC ACID, Maltodextrin-binding protein, ... | 著者 | Miller, B.R, Shaffer, P. | 登録日 | 2023-02-08 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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5W89
| Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18 | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-18 | 著者 | Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E. | 登録日 | 2017-06-21 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5C3F
| Crystal structure of Mcl-1 bound to BID-MM | 分子名称: | BID-MM, GLYCEROL, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J. | 登録日 | 2015-06-17 | 公開日 | 2016-04-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Hydrocarbon constrained peptides - understanding preorganisation and binding affinity. Chem Sci, 7, 2016
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8G3X
| MBP-Mcl1 in complex with ligand 32 | 分子名称: | 1,2-ETHANEDIOL, Maltodextrin-binding protein, Induced myeloid leukemia cell differentiation protein Mcl-1 chimera, ... | 著者 | Miller, B.R, Shaffer, P. | 登録日 | 2023-02-08 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8H7B
| The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | 分子名称: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Zhu, C.J, Zhang, Z.M. | 登録日 | 2022-10-19 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.46408451 Å) | 主引用文献 | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
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8SVY
| MBP-Mcl1 in complex with ligand 10 | 分子名称: | (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, ... | 著者 | Miller, B.R, Shaffer, P. | 登録日 | 2023-05-17 | 公開日 | 2023-08-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1. Acs Med.Chem.Lett., 14, 2023
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6OQD
| Crystal structure of Mcl1 with inhibitor 8 | 分子名称: | (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-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 | 著者 | Huang, X. | 登録日 | 2019-04-26 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | 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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6UDT
| X-ray co-crystal structure of compound 10 bound to human Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X, Whittington, D. | 登録日 | 2019-09-19 | 公開日 | 2019-12-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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5FC4
| Mcl-1 complexed with small molecule inhibitor | 分子名称: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Zhao, B. | 登録日 | 2015-12-14 | 公開日 | 2016-03-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. J.Med.Chem., 59, 2016
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4HW4
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8EKX
| Structure of MBP-Mcl-1 in complex with MIK665 | 分子名称: | (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 | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 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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4WMU
| STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A | 分子名称: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | 著者 | Clifton, M.C, Faiman, J.W. | 登録日 | 2014-10-09 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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2NL9
| Crystal structure of the Mcl-1:Bim BH3 complex | 分子名称: | Bcl-2-like protein 11, CHLORIDE ION, FUSION PROTEIN CONSISTING OF Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, ... | 著者 | Czabotar, P.E, Colman, P.M. | 登録日 | 2006-10-19 | 公開日 | 2007-03-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural insights into the degradation of Mcl-1 induced by BH3 domains. Proc.Natl.Acad.Sci.USA, 104, 2007
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6UA3
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8T6F
| Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor | 分子名称: | (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, ... | 著者 | Poncet-Montange, G, Lemke, C.T. | 登録日 | 2023-06-15 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | 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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4BPJ
| Mcl-1 bound to alpha beta Puma BH3 peptide 3 | 分子名称: | ALPHA BETA BH3-PEPTIDE, CHLORIDE ION, FUSION PROTEIN CONSISTING OF INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL-1 HOMOLOG, ... | 著者 | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | 登録日 | 2013-05-27 | 公開日 | 2014-04-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | 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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6QFQ
| Structure of human Mcl-1 in complex with indole acid inhibitor | 分子名称: | 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 | 著者 | 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. | 登録日 | 2019-01-10 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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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6O6F
| Co-crystal structure of Mcl1 with inhibitor | 分子名称: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X. | 登録日 | 2019-03-06 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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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6OQB
| Co-crystal structure of Mcl1 with inhibitor 10 | 分子名称: | (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 | 著者 | Huang, X. | 登録日 | 2019-04-26 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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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6FS1
| MCL1 in complex with an indole acid ligand | 分子名称: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Kasmirski, S, Hargreaves, D. | 登録日 | 2018-02-18 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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6P3P
| Crystal structure of Mcl-1 in complex with compound 65 | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | 著者 | Toms, A.V, Follows, B. | 登録日 | 2019-05-24 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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8ETB
| the crystal structure of a rationally designed zinc sensor based on maltose binding protein - Zn binding conformation | 分子名称: | ACETATE ION, ZINC ION, Zinc Sensor protein | 著者 | Zhao, Z, Zhou, M, Zemerov, S.D, Marmorstein, R, Dmochowski, I.J. | 登録日 | 2022-10-16 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Rational design of a genetically encoded NMR zinc sensor. Chem Sci, 14, 2023
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