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PDB: 143 件
5IEZ
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BU of 5iez by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5FDR
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BU of 5fdr by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 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
5JSB
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BU of 5jsb by Molmil
Crystal structure of Mcl1-inhibitor complex
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor
著者Shen, B.W, Stoddard, B.L.
登録日2016-05-07
公開日2016-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
分子名称: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
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 (2.75 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
6BW2
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BU of 6bw2 by Molmil
Mcl-1 complexed with small molecules
分子名称: 3-({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}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2017-12-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
7VN6
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BU of 7vn6 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning CGCACGTGCG
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*GP*CP*AP*CP*GP*TP*GP*CP*GP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ...
著者Nosaki, S, Tanokura, M, Miyakawa, T.
登録日2021-10-10
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
5FDO
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BU of 5fdo by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 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
2NLA
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BU of 2nla by Molmil
Crystal structure of the Mcl-1:mNoxaB BH3 complex
分子名称: FUSION PROTEIN CONSISTING OF Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Phorbol-12-myristate-13-acetate-induced protein 1
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 (2.8 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
4HW2
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BU of 4hw2 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
分子名称: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Zhao, B.
登録日2012-11-07
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
7NB7
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BU of 7nb7 by Molmil
Structure of Mcl-1 complex with compound 6b
分子名称: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
7FBD
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BU of 7fbd by Molmil
De novo design protein D53 with MBP tag
分子名称: Maltodextrin-binding protein,De novo design protein D53
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
4OQ5
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BU of 4oq5 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
分子名称: 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
登録日2014-02-07
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
6U6F
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BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
分子名称: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
登録日2019-08-29
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 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
6BW8
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BU of 6bw8 by Molmil
Mcl-1 complexed with small molecules
分子名称: 7-{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-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2017-12-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
分子名称: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
2MHS
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BU of 2mhs by Molmil
NMR Structure of human Mcl-1
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1
著者Liu, G, Poppe, L, Aoki, K, Yamane, H, Lewis, J, Szyperski, T.
登録日2013-12-04
公開日2014-05-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design.
Plos One, 9, 2014
6OVC
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BU of 6ovc by Molmil
hMcl1 inhibitor complex
分子名称: (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
著者Poppe, L.
登録日2019-05-07
公開日2019-05-22
最終更新日2024-05-01
実験手法SOLUTION NMR
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
2KBW
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BU of 2kbw by Molmil
Solution Structure of human Mcl-1 complexed with human Bid_BH3 peptide
分子名称: BH3-interacting domain death agonist, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Liu, Q, Moldoveanu, T, Sprules, T, Matta-Camacho, E, Mansur-Azzam, N, Gehring, K.
登録日2008-12-09
公開日2009-12-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Apoptotic regulation by MCL-1 through heterodimerization.
J.Biol.Chem., 285, 2010

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