4ER3
 
 | | Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | | Descriptor: | 1,2-ETHANEDIOL, 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, ... | | 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 (2.4 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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4EQZ
 | | 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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4ER0
 | | Crystal Structure of human DOT1L in complex with inhibitor FED1 | | Descriptor: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, 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 (2.5 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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4ER7
 | | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, 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 (2.2 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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4ER6
 | | Crystal structure of human DOT1L in complex with inhibitor SGC0946 | | Descriptor: | 5-bromo-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, BROMIDE ION, Histone-lysine N-methyltransferase, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, 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 (2.3 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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5DRT
 | | Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide] | | Descriptor: | 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | | Deposit date: | 2015-09-16 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
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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] | | Descriptor: | 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, ... | | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | | Deposit date: | 2015-09-17 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
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5DT2
 | | Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine] | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ... | | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | | Deposit date: | 2015-09-17 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
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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] | | Descriptor: | 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, ... | | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | | Deposit date: | 2015-09-16 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
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5DTR
 | | Crystal structure of Dot1L in complex with inhibitor CPD5 [N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine] | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine | | Authors: | Scheufler, C, Be, C, Moebitz, H, Stauffer, F. | | Deposit date: | 2015-09-18 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
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5DTQ
 | | Crystal structure of Dot1L in complex with inhibitor CPD3 [(2,6-dichlorophenyl)(quinolin-6-yl)methanone] | | Descriptor: | (2,6-dichlorophenyl)(quinolin-6-yl)methanone, Histone-lysine N-methyltransferase, H3 lysine-79 specific | | Authors: | Scheufler, C, Be, C, Moebitz, H, Stauffer, F. | | Deposit date: | 2015-09-18 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
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2MV7
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7XCT
 | | Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 2:1 complex | | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B type 1-K, ... | | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | | Deposit date: | 2022-03-25 | | Release date: | 2022-04-20 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
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7XCR
 | | Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 1:1 complex | | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | | Deposit date: | 2022-03-25 | | Release date: | 2022-04-20 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
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6JN2
 | | Crystal structure of the coiled-coil domains of human DOT1L in complex with AF10 | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10 | | Authors: | Song, X, Wang, M, Yang, N, Xu, R.M. | | Deposit date: | 2019-03-13 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A higher-order configuration of the heterodimeric DOT1L-AF10 coiled-coil domains potentiates their leukemogenenic activity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5JUW
 | | complex of Dot1l with SS148 | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Yu, W, Tempel, W, Li, Y, Spurr, S.S, Bayle, E.D, Fish, P.V, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-05-10 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Complex of Dot1l with SS148
To Be Published
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7BWD
 | | Structure of Dot1L-H2BK34ub Nucleosome Complex | | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Lou, Z.Y, Liu, L, Cao, L, Ai, H.S, Sun, Z.X. | | Deposit date: | 2020-04-14 | | Release date: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (4.32 Å) | | Cite: | Structure of the Dot1L-H2BK34ub Nucleosome Complex Reveals an Unprecedented Crosstalk Activation Mechanism through Nucleosome Shape Distortion
To Be Published
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6CKO
 | | Crystal structure of an AF10 fragment | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10, ... | | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
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3QOW
 | | DOT1L Structure in complex with SAM | | Descriptor: | Histone-lysine N-methyltransferase, S-ADENOSYLMETHIONINE, SULFATE ION | | Authors: | Jin, L. | | Deposit date: | 2011-02-11 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Chemogenetic analysis of human protein methyltransferases.
Chem.Biol.Drug Des., 78, 2011
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4TMP
 | | Crystal structure of AF9 YEATS bound to H3K9ac peptide | | Descriptor: | 1,2-ETHANEDIOL, ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-ALY-SER-THR, Protein AF-9 | | Authors: | Li, H, Li, Y, Wang, H, Ren, Y. | | Deposit date: | 2014-06-02 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | AF9 YEATS Domain Links Histone Acetylation to DOT1L-Mediated H3K79 Methylation.
Cell, 159, 2014
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6CKN
 | | Crystal structure of an AF10 fragment | | Descriptor: | Protein AF-10, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
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7EKN
 | | Crystal structure of AF10-ipep complex | | Descriptor: | Protein AF-10, ipep | | Authors: | Chen, S, Zhou, Z. | | Deposit date: | 2021-04-05 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural characteristics of coiled-coil regions in AF10-DOT1L and AF10-inhibitory peptide complex.
J Leukoc Biol, 110, 2021
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7XD0
 | | cryo-EM structure of H2BK34ub nucleosome | | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | | Deposit date: | 2022-03-26 | | Release date: | 2022-04-20 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
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7XD1
 | | cryo-EM structure of unmodified nucleosome | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | | Deposit date: | 2022-03-26 | | Release date: | 2022-04-20 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
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3QOX
 | | DOT1L structure in complex with SAH | | Descriptor: | Histone-lysine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | | Authors: | Jin, L. | | Deposit date: | 2011-02-11 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chemogenetic analysis of human protein methyltransferases.
Chem.Biol.Drug Des., 78, 2011
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