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1NW3
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BU of 1nw3 by Molmil
Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase
Descriptor: ACETATE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ...
Authors:Min, J.R, Feng, Q, Li, Z.H, Zhang, Y, Xu, R.M.
Deposit date:2003-02-05
Release date:2003-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase
Cell(Cambridge,Mass.), 112, 2003
6JMA
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BU of 6jma by Molmil
cryo-EM structure of DOT1L bound to H2B ubiquitinated nucleosome
Descriptor: DNA I&J, Histone H2A, Histone H2B 1.1, ...
Authors:Jang, S, Song, J.J.
Deposit date:2019-03-07
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase.
Genes Dev., 33, 2019
6JM9
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BU of 6jm9 by Molmil
cryo-EM structure of DOT1L bound to unmodified nucleosome
Descriptor: DNA strand I, DNA strand J, Histone H2A, ...
Authors:Jang, S, Song, J.J.
Deposit date:2019-03-07
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Structural basis of recognition and destabilization of the histone H2B ubiquitinated nucleosome by the DOT1L histone H3 Lys79 methyltransferase.
Genes Dev., 33, 2019
6O96
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BU of 6o96 by Molmil
Dot1L bound to the H2BK120 Ubiquitinated nucleosome
Descriptor: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Vasilyev, N, Chen, R, Nudler, E, Armache, J.-P, Armache, K.-J.
Deposit date:2019-03-13
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Basis of Dot1L Stimulation by Histone H2B Lysine 120 Ubiquitination.
Mol.Cell, 74, 2019
4EKI
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BU of 4eki by Molmil
Crystal Structure of DOT1L in complex with EPZ004777
Descriptor: 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, ...
Authors:Jin, L.
Deposit date:2012-04-09
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
Chem.Biol.Drug Des., 80, 2012
4EKG
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BU of 4ekg by Molmil
Crystal Structure of DOT1L in Complex with EPZ003696
Descriptor: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific
Authors:Jin, L.
Deposit date:2012-04-09
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
Chem.Biol.Drug Des., 80, 2012
4EK9
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BU of 4ek9 by Molmil
Crystal structure of DOT1L in complex with EPZ000004
Descriptor: 5'-deoxy-5'-(dimethylamino)adenosine, GLYCEROL, Histone-lysine N-methyltransferase, ...
Authors:Jin, L.
Deposit date:2012-04-09
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
Chem.Biol.Drug Des., 80, 2012
4HRA
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BU of 4hra by Molmil
Crystal Structure of DOT1L in Complex with EPZ-5676
Descriptor: 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, ...
Authors:Jin, L.
Deposit date:2012-10-26
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Potent inhibition of DOT1L as treatment of MLL-fusion leukemia.
Blood, 122, 2013
4WVL
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BU of 4wvl by Molmil
Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase, ...
Authors:Xu, X, Dhe-Paganon, S, Blacklow, S.
Deposit date:2014-11-06
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement.
Acs Chem.Biol., 10, 2015
5MVS
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BU of 5mvs by Molmil
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]
Descriptor: ADENOSINE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
Deposit date:2017-01-17
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
5MW4
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BU of 5mw4 by Molmil
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]
Descriptor: 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, ...
Authors:Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
Deposit date:2017-01-18
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
5MW3
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BU of 5mw3 by Molmil
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]
Descriptor: (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
Deposit date:2017-01-18
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
Descriptor: (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, ...
Authors: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)
Deposit date:2011-07-14
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
7EDP
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BU of 7edp by Molmil
Crystal structure of AF10-DOT1L complex
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10
Authors:Chen, S, Zhou, Z.
Deposit date:2021-03-16
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characteristics of coiled-coil regions in AF10-DOT1L and AF10-inhibitory peptide complex.
J Leukoc Biol, 110, 2021
3SR4
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BU of 3sr4 by Molmil
Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor
Descriptor: (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, ...
Authors:Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y.
Deposit date:2011-07-06
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies.
J.Am.Chem.Soc., 133, 2011
6TE6
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BU of 6te6 by Molmil
Crystal structure of Dot1L in complex with an inhibitor (compound 3).
Descriptor: 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
Authors:Scheufler, C, Stauffer, F, Be, C, Moebitz, H.
Deposit date:2019-11-11
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
3UWP
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BU of 3uwp by Molmil
Crystal structure of Dot1l in complex with 5-iodotubercidin
Descriptor: (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, ...
Authors: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)
Deposit date:2011-12-02
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6TEL
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BU of 6tel by Molmil
Crystal structure of Dot1L in complex with an inhibitor (compound 10).
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, ...
Authors:Scheufler, C, Stauffer, F, Be, C, Moebitz, H.
Deposit date:2019-11-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
6TEN
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BU of 6ten by Molmil
Crystal structure of Dot1L in complex with an inhibitor (compound 11).
Descriptor: 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, ...
Authors:Scheufler, C, Stauffer, F, Be, C, Moebitz, H.
Deposit date:2019-11-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
6NOG
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BU of 6nog by Molmil
Poised-state Dot1L bound to the H2B-Ubiquitinated nucleosome
Descriptor: 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ...
Authors:Worden, E.J, Hoffmann, N.A, Wolberger, C.
Deposit date:2019-01-16
Release date:2019-02-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L.
Cell, 176, 2019
6NN6
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BU of 6nn6 by Molmil
Structure of Dot1L-H2BK120ub nucleosome complex
Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Anderson, C.J, Baird, M.R, Hsu, A, Barbour, E.H, Koyama, Y, Borgnia, M.J, McGinty, R.K.
Deposit date:2019-01-14
Release date:2019-02-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Basis for Recognition of Ubiquitylated Nucleosome by Dot1L Methyltransferase.
Cell Rep, 26, 2019
6NQA
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BU of 6nqa by Molmil
Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 1-to-1 complex
Descriptor: 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ...
Authors:Worden, E.J, Hoffmann, N.A, Wolberger, C.
Deposit date:2019-01-19
Release date:2019-02-20
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L.
Cell, 176, 2019
6NJ9
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BU of 6nj9 by Molmil
Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 2-to-1 complex
Descriptor: 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ...
Authors:Worden, E.J, Hoffmann, N.A, Wolberger, C.
Deposit date:2019-01-02
Release date:2019-02-20
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L.
Cell, 176, 2019
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
Descriptor: 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, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4EQZ
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BU of 4eqz by Molmil
Crystal structure of human DOT1L in complex with inhibitor FED2
Descriptor: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012

 

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