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 | 分子名称: | (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 | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | 登録日 | 2022-09-22 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.917 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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8G3U
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![BU of 8g3u by Molmil](/molmil-images/mine/8g3u) | MBP-Mcl1 in complex with ligand 21 | 分子名称: | (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-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-(ethanediylidene)-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, 1,2-ETHANEDIOL, 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 (1.94 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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6UDI
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![BU of 6udi by Molmil](/molmil-images/mine/6udi) | X-ray co-crystal structure of compound 20 with Mcl-1 | 分子名称: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-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-carboxamide, 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 (1.94 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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3KJ1
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![BU of 3kj1 by Molmil](/molmil-images/mine/3kj1) | Mcl-1 in complex with Bim BH3 mutant I2dA | 分子名称: | ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ... | 著者 | Fire, E, Grant, R.A, Keating, A.E. | 登録日 | 2009-11-02 | 公開日 | 2010-02-16 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | 主引用文献 | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
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6VBX
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![BU of 6vbx by Molmil](/molmil-images/mine/6vbx) | Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide | 著者 | Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z. | 登録日 | 2019-12-19 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1. J.Med.Chem., 64, 2021
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6B4U
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![BU of 6b4u by Molmil](/molmil-images/mine/6b4u) | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | 分子名称: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Judge, R.A, Souers, A.J. | 登録日 | 2017-09-27 | 公開日 | 2017-10-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J. Med. Chem., 58, 2015
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6MBD
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![BU of 6mbd by Molmil](/molmil-images/mine/6mbd) | Human Mcl-1 in complex with the designed peptide dM1 | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | 著者 | Jenson, J.M, Keating, A.E. | 登録日 | 2018-08-29 | 公開日 | 2019-03-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure, 27, 2019
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6QFC
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![BU of 6qfc by Molmil](/molmil-images/mine/6qfc) | Structure of an anti-Mcl1 scFv | 分子名称: | DIMETHYL SULFOXIDE, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | 著者 | Luptak, J. | 登録日 | 2019-01-09 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | 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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8IQM
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![BU of 8iqm by Molmil](/molmil-images/mine/8iqm) | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | 分子名称: | Bcl2 modifying factor, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Wang, H, Guo, M, Wei, H, Chen, Y. | 登録日 | 2023-03-16 | 公開日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.967 Å) | 主引用文献 | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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4BPI
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![BU of 4bpi by Molmil](/molmil-images/mine/4bpi) | Mcl-1 bound to alpha beta Puma BH3 peptide 2 | 分子名称: | ALPHA BETA BH3PEPTIDE, CADMIUM 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 (1.982 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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8AV9
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![BU of 8av9 by Molmil](/molmil-images/mine/8av9) | INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1 | 分子名称: | (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Hargreaves, D. | 登録日 | 2022-08-26 | 公開日 | 2023-05-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1. Proc.Natl.Acad.Sci.USA, 120, 2023
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6QFM
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![BU of 6qfm by Molmil](/molmil-images/mine/6qfm) | Structure of human Mcl-1 in complex with PUMA BH3 peptide | 分子名称: | Bcl-2-binding component 3, CHLORIDE ION, 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 (2 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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6QZB
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![BU of 6qzb by Molmil](/molmil-images/mine/6qzb) | Structure of Mcl-1 in complex with compound 8d | 分子名称: | (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-11 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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4WMX
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![BU of 4wmx by Molmil](/molmil-images/mine/4wmx) | |
6YBK
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![BU of 6ybk by Molmil](/molmil-images/mine/6ybk) | Structure of MBP-Mcl-1 in complex with compound 4d | 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-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | 著者 | Dokurno, P, Surgenor, A.E, Murray, J.B. | 登録日 | 2020-03-17 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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6QZ5
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![BU of 6qz5 by Molmil](/molmil-images/mine/6qz5) | Structure of Mcl-1 in complex with compound 8a | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-11 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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2PQK
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![BU of 2pqk by Molmil](/molmil-images/mine/2pqk) | X-ray crystal structure of human Mcl-1 in complex with Bim BH3 | 分子名称: | Bim BH3 peptide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | 著者 | Bare, E, Grant, R.A, Keating, A.E. | 登録日 | 2007-05-02 | 公開日 | 2007-06-19 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
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3D7V
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![BU of 3d7v by Molmil](/molmil-images/mine/3d7v) | Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand | 分子名称: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | 著者 | Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D. | 登録日 | 2008-05-22 | 公開日 | 2008-06-24 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | 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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5C6H
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![BU of 5c6h by Molmil](/molmil-images/mine/5c6h) | Mcl-1 complexed with Mule | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1 | 著者 | Song, T, Wang, Z, Ji, F, Chai, G, Liu, Y, Li, X, Li, Z, Fan, Y, Zhang, Z. | 登録日 | 2015-06-23 | 公開日 | 2016-08-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure of Mcl-1 complexed with Mule at 2.05 Angstroms resolution To Be Published
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6U65
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![BU of 6u65 by Molmil](/molmil-images/mine/6u65) | Mcl-1 bound to compound 19 | 分子名称: | 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ... | 著者 | Stuckey, J.A. | 登録日 | 2019-08-29 | 公開日 | 2020-03-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6UAB
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6YBL
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![BU of 6ybl by Molmil](/molmil-images/mine/6ybl) | Structure of MBP-Mcl-1 in complex with compound 9m | 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 | Dokurno, P, Surgenor, A.E, Murray, J.B. | 登録日 | 2020-03-17 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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6YBG
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![BU of 6ybg by Molmil](/molmil-images/mine/6ybg) | Structure of Mcl-1 in complex with compound 2g | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Dokurno, P, Surgenor, A.E, Murray, J.B. | 登録日 | 2020-03-17 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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6QYO
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![BU of 6qyo by Molmil](/molmil-images/mine/6qyo) | Structure of MBP-Mcl-1 in complex with compound 18a | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-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 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-09 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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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 | 分子名称: | (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 | 著者 | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | 登録日 | 2023-10-10 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | 主引用文献 | 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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