PDB: 80 件ウェブページステータス検索Chemie searchBIRD

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1NW3	Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase 分子名称: ACETATE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ... 著者 Min, J.R, Feng, Q, Li, Z.H, Zhang, Y, Xu, R.M. 登録日 2003-02-05 公開日 2003-03-25 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase Cell(Cambridge,Mass.), 112, 2003
6JMA	cryo-EM structure of DOT1L bound to H2B ubiquitinated nucleosome 分子名称: DNA I&J, Histone H2A, Histone H2B 1.1, ... 著者 Jang, S, Song, J.J. 登録日 2019-03-07 公開日 2019-05-15 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (6.8 Å) 主引用文献 Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase. Genes Dev., 33, 2019
6JM9	cryo-EM structure of DOT1L bound to unmodified nucleosome 分子名称: DNA strand I, DNA strand J, Histone H2A, ... 著者 Jang, S, Song, J.J. 登録日 2019-03-07 公開日 2019-05-15 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (7.3 Å) 主引用文献 Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase. Genes Dev., 33, 2019
6O96	Dot1L bound to the H2BK120 Ubiquitinated nucleosome 分子名称: DNA (146-MER), Histone H2A, Histone H2B 1.1, ... 著者 Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Vasilyev, N, Chen, R, Nudler, E, Armache, J.-P, Armache, K.-J. 登録日 2019-03-13 公開日 2019-04-24 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Structural Basis of Dot1L Stimulation by Histone H2B Lysine 120 Ubiquitination. Mol.Cell, 74, 2019
4EKI	Crystal Structure of DOT1L in complex with EPZ004777 分子名称: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Jin, L. 登録日 2012-04-09 公開日 2012-10-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L. Chem.Biol.Drug Des., 80, 2012
4EKG	Crystal Structure of DOT1L in Complex with EPZ003696 分子名称: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific 著者 Jin, L. 登録日 2012-04-09 公開日 2012-10-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L. Chem.Biol.Drug Des., 80, 2012
4EK9	Crystal structure of DOT1L in complex with EPZ000004 分子名称: 5'-deoxy-5'-(dimethylamino)adenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... 著者 Jin, L. 登録日 2012-04-09 公開日 2012-10-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L. Chem.Biol.Drug Des., 80, 2012
4HRA	Crystal Structure of DOT1L in Complex with EPZ-5676 分子名称: 5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Jin, L. 登録日 2012-10-26 公開日 2013-07-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Potent inhibition of DOT1L as treatment of MLL-fusion leukemia. Blood, 122, 2013
4WVL	Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase, ... 著者 Xu, X, Dhe-Paganon, S, Blacklow, S. 登録日 2014-11-06 公開日 2014-12-03 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement. Acs Chem.Biol., 10, 2015
3UWP	Crystal structure of Dot1l in complex with 5-iodotubercidin 分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) 登録日 2011-12-02 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
5MW3	Crystal structure of Dot1L in complex with inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] and inhibitor CPD2 [(R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine] 分子名称: (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C. 登録日 2017-01-18 公開日 2017-03-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach. ACS Med Chem Lett, 8, 2017
5MVS	Crystal structure of Dot1L in complex with adenosine and inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] 分子名称: ADENOSINE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C. 登録日 2017-01-17 公開日 2017-03-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach. ACS Med Chem Lett, 8, 2017
5MW4	Crystal structure of Dot1L in complex with inhibitor CPD7 [N-(3-(((R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)(methyl)amino)propyl)-2-(3-(2-chloro-3-(2-methylpyridin-3-yl)benzo[b]thiophen-5-yl)ureido)acetamide] 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide, ... 著者 Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C. 登録日 2017-01-18 公開日 2017-03-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach. ACS Med Chem Lett, 8, 2017
7EDP	Crystal structure of AF10-DOT1L complex 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10 著者 Chen, S, Zhou, Z. 登録日 2021-03-16 公開日 2021-04-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural characteristics of coiled-coil regions in AF10-DOT1L and AF10-inhibitory peptide complex. J Leukoc Biol, 110, 2021
6TE6	Crystal structure of Dot1L in complex with an inhibitor (compound 3). 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine 著者 Scheufler, C, Stauffer, F, Be, C, Moebitz, H. 登録日 2019-11-11 公開日 2019-12-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
6NOG	Poised-state Dot1L bound to the H2B-Ubiquitinated nucleosome 分子名称: 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... 著者 Worden, E.J, Hoffmann, N.A, Wolberger, C. 登録日 2019-01-16 公開日 2019-02-20 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L. Cell, 176, 2019
6NN6	Structure of Dot1L-H2BK120ub nucleosome complex 分子名称: DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ... 著者 Anderson, C.J, Baird, M.R, Hsu, A, Barbour, E.H, Koyama, Y, Borgnia, M.J, McGinty, R.K. 登録日 2019-01-14 公開日 2019-02-13 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Structural Basis for Recognition of Ubiquitylated Nucleosome by Dot1L Methyltransferase. Cell Rep, 26, 2019
6NQA	Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 1-to-1 complex 分子名称: 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... 著者 Worden, E.J, Hoffmann, N.A, Wolberger, C. 登録日 2019-01-19 公開日 2019-02-20 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (3.54 Å) 主引用文献 Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L. Cell, 176, 2019
6TEN	Crystal structure of Dot1L in complex with an inhibitor (compound 11). 分子名称: 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Scheufler, C, Stauffer, F, Be, C, Moebitz, H. 登録日 2019-11-12 公開日 2019-12-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
6TEL	Crystal structure of Dot1L in complex with an inhibitor (compound 10). 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, ... 著者 Scheufler, C, Stauffer, F, Be, C, Moebitz, H. 登録日 2019-11-12 公開日 2019-12-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
3SX0	Crystal structure of Dot1l in complex with a brominated SAH analog 分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) 登録日 2011-07-14 公開日 2011-07-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Bromo-deaza-SAH: a potent and selective DOT1L inhibitor. Bioorg. Med. Chem., 21, 2013
6NJ9	Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 2-to-1 complex 分子名称: 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... 著者 Worden, E.J, Hoffmann, N.A, Wolberger, C. 登録日 2019-01-02 公開日 2019-02-20 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (2.96 Å) 主引用文献 Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L. Cell, 176, 2019
3SR4	Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor 分子名称: (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ACETATE ION, GLYCEROL, ... 著者 Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y. 登録日 2011-07-06 公開日 2011-10-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies. J.Am.Chem.Soc., 133, 2011
5DRY	Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide] 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ... 著者 Scheufler, C, Gaul, C, Be, C, Moebitz, H. 登録日 2015-09-16 公開日 2016-06-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
5DSX	Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one] 分子名称: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... 著者 Scheufler, C, Gaul, C, Be, C, Moebitz, H. 登録日 2015-09-17 公開日 2016-06-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016

 

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