5UUK
 
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5UUM
 | | Human Mcl-1 in complex with a Bfl-1-specific selected peptide | | 分子名称: | Bfl-1 specific peptide FS2, Induced myeloid leukemia cell differentiation protein Mcl-1, SULFATE ION, ... | | 著者 | Jenson, J.M, Grant, R.A, Keating, A.E. | | 登録日 | 2017-02-17 | | 公開日 | 2017-06-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.346 Å) | | 主引用文献 | Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
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5UUP
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5TZQ
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5UUL
 | | Human Bfl-1 in complex with PUMA BH3 | | 分子名称: | Bcl-2-binding component 3, Bcl-2-related protein A1, SULFATE ION | | 著者 | Jenson, J.M, Grant, R.A, Keating, A.E. | | 登録日 | 2017-02-17 | | 公開日 | 2017-06-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
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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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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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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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8G3W
 | | MBP-Mcl1 in complex with ligand 28 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, 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 (1.78 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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8G3T
 | | MBP-Mcl1 in complex with ligand 12 | | 分子名称: | (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-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, 1,2-ETHANEDIOL, FORMIC ACID, ... | | 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 (1.83 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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8G3Y
 | | MBP-Mcl1 in complex with ligand 34 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 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 (1.7 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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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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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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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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8G1T
 | | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 | | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX | | 著者 | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | | 登録日 | 2023-02-02 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.092 Å) | | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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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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8IGC
 | | Crystal structure of Bak bound to Bnip5 BH3 | | 分子名称: | Bcl-2 homologous antagonist/killer, Protein BNIP5 | | 著者 | Ku, B, Lim, D. | | 登録日 | 2023-02-20 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | | 主引用文献 | Crystal structure of Bak bound to the BH3 domain of Bnip5, a noncanonical BH3 domain-containing protein.
Proteins, 92, 2024
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4BD8
 | | Bax domain swapped dimer induced by BimBH3 with CHAPS | | 分子名称: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION | | 著者 | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | | 登録日 | 2012-10-05 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
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4BD7
 | | Bax domain swapped dimer induced by octylmaltoside | | 分子名称: | APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION | | 著者 | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | | 登録日 | 2012-10-05 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | | 主引用文献 | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
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4BD2
 | | Bax domain swapped dimer in complex with BidBH3 | | 分子名称: | APOPTOSIS REGULATOR BAX, BH3-INTERACTING DOMAIN DEATH AGONIST | | 著者 | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | | 登録日 | 2012-10-04 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | | 主引用文献 | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
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4BD6
 | | Bax domain swapped dimer in complex with BaxBH3 | | 分子名称: | APOPTOSIS REGULATOR BAX | | 著者 | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | | 登録日 | 2012-10-05 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | | 主引用文献 | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
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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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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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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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4ZBI
 | | Mcl-1 complexed with small molecules | | 分子名称: | 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Zhao, B. | | 登録日 | 2015-04-14 | | 公開日 | 2015-04-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
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