6O5I
| Menin in complex with MI-3454 | 分子名称: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | 著者 | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | 登録日 | 2019-03-03 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.24025619 Å) | 主引用文献 | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J.Clin.Invest., 130, 2020
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2JR0
| Solution structure of NusB from Aquifex Aeolicus | 分子名称: | N utilization substance protein B homolog | 著者 | Das, R, Loss, S, Li, J, Tarasov, S, Wingfield, P, Waugh, D.S, Byrd, R.A, Altieri, A.S. | 登録日 | 2007-06-18 | 公開日 | 2008-02-19 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural biophysics of the NusB:NusE antitermination complex. J.Mol.Biol., 376, 2008
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4H58
| BRAF in complex with compound 3 | 分子名称: | CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf | 著者 | Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B. | 登録日 | 2012-09-18 | 公開日 | 2013-02-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors. J.Med.Chem., 56, 2013
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6BXH
| Menin in complex with MI-853 | 分子名称: | 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ... | 著者 | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-18 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | 主引用文献 | Menin in complex with MI-853 To Be Published
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6BXY
| Menin in complex with MI-1481 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-19 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
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6BY8
| Menin in complex with MI-1482 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-20 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
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4D73
| X-ray structure of a peroxiredoxin | 分子名称: | 1-CYS PEROXIREDOXIN | 著者 | Staudacher, V, Djuika, C.F, Koduka, J, Schlossarek, S, Kopp, J, Buechler, M, Lanzer, M, Deponte, M. | 登録日 | 2014-11-19 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Plasmodium Falciparum Antioxidant Protein Reveals a Novel Mechanism for Balancing Turnover and Inactivation of Peroxiredoxins Free Radic.Biol.Med., 85, 2015
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6WZW
| Ash1L SET domain in complex with AS-85 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ... | 著者 | Li, H, Deng, J, Cierpicki, T, Grembecka, J. | 登録日 | 2020-05-14 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity. Nat Commun, 12, 2021
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6X0P
| Ash1L SET domain Q2265A mutant in complex with AS-5 | 分子名称: | 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide, Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ... | 著者 | Rogawski, D.S, Li, H, Borkin, D, Cierpicki, T, Grembecka, J. | 登録日 | 2020-05-17 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity. Nat Commun, 12, 2021
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5KHM
| The first BET bromodomain of BRD4 bound to compound 13 in a bivalent manner | 分子名称: | (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Patel, J. | 登録日 | 2016-06-15 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153). J.Med.Chem., 59, 2016
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6Z45
| CDK9-Cyclin-T1 complex bound by compound 24 | 分子名称: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | 著者 | Ferguson, A, Collie, G.W. | 登録日 | 2020-05-22 | 公開日 | 2020-12-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.37 Å) | 主引用文献 | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. J.Med.Chem., 63, 2020
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4BB4
| ephB4 kinase domain inhibitor complex | 分子名称: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide | 著者 | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L. | 登録日 | 2012-09-19 | 公開日 | 2013-02-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors. J.Med.Chem., 56, 2013
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