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5DAH
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BU of 5dah by Molmil
Crystal structure of PZP domain of human AF10 protein fused with Histone H3 peptide
Descriptor: Histone H3 peptide, Protein AF-10, SULFATE ION, ...
Authors:Chen, S, Patel, D.J.
Deposit date:2015-08-19
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:The PZP Domain of AF10 Senses Unmodified H3K27 to Regulate DOT1L-Mediated Methylation of H3K79.
Mol.Cell, 60, 2015
5DAG
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BU of 5dag by Molmil
Crystal structure of PZP domain of human AF10 protein
Descriptor: Protein AF-10, ZINC ION
Authors:Chen, S, Patel, D.J.
Deposit date:2015-08-19
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The PZP Domain of AF10 Senses Unmodified H3K27 to Regulate DOT1L-Mediated Methylation of H3K79.
Mol.Cell, 60, 2015
6IN3
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BU of 6in3 by Molmil
Crystal structure of DOT1L in complex with 18-Crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
6J99
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BU of 6j99 by Molmil
Cryo-EM structure of human DOT1L in complex with an H2B-monoubiquitinated nucleosome
Descriptor: DNA (144-MER), DNA (145-MER), Histone H2A, ...
Authors:Yao, T, Huang, J.
Deposit date:2019-01-22
Release date:2019-02-27
Last modified:2019-04-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of the crosstalk between histone H2B monoubiquitination and H3 lysine 79 methylation on nucleosome.
Cell Res., 29, 2019
7S7F
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BU of 7s7f by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S7E
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BU of 7s7e by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
8FRK
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BU of 8frk by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SGC8158
Descriptor: 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, ETHANOL, POTASSIUM ION, ...
Authors:Kottur, J, Aggarwal, A.K.
Deposit date:2023-01-07
Release date:2023-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals.
Plos Pathog., 19, 2023
8FRJ
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BU of 8frj by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to 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, Transcription factor ETV6,Guanine-N7 methyltransferase nsp14 chimera, ZINC ION
Authors:Kottur, J, Aggarwal, A.K.
Deposit date:2023-01-07
Release date:2023-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals.
Plos Pathog., 19, 2023
8TLX
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BU of 8tlx by Molmil
Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic inhibitor 21a
Descriptor: GLYCEROL, MBP and AF9 AHD fusion protein 3AQA, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Yang, Y, Nikolovska-Coleska, Z.
Deposit date:2023-07-27
Release date:2024-05-29
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Structural studies of intrinsically disordered MLL-fusion protein AF9 in complex with peptidomimetic inhibitors.
Protein Sci., 33, 2024
8TLW
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BU of 8tlw by Molmil
Crystal structure of MBP and AF9 AHD fusion protein 3AQA in complex with peptidomimetic inhibitor 28
Descriptor: MBP and AF9 AHD fusion protein 3AQA, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, peptidomimetic inhibitor 28
Authors:Yang, Y, Nikolovska-Coleska, Z.
Deposit date:2023-07-27
Release date:2024-05-29
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Structural studies of intrinsically disordered MLL-fusion protein AF9 in complex with peptidomimetic inhibitors.
Protein Sci., 33, 2024
8TLV
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BU of 8tlv by Molmil
Crystal structure of MBP and AF9 AHD fusion protein 4AQK in complex with peptidomimetic inhibitor 28
Descriptor: GLUTATHIONE, MBP and AF9 AHD fusion protein 4AQK, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Yang, Y, Nikolovska-Coleska, Z.
Deposit date:2023-07-27
Release date:2024-05-29
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.659 Å)
Cite:Structural studies of intrinsically disordered MLL-fusion protein AF9 in complex with peptidomimetic inhibitors.
Protein Sci., 33, 2024
8HKR
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BU of 8hkr by Molmil
Crystal Structure of Histone H3 Lysine 79 (H3K79) Methyltransferase Rv2067c from Mycobacterium tuberculosis
Descriptor: PHOSPHATE ION, Protein lysine methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Dadireddy, V, Singh, P.R, Kalladi, S.M, Valakunja, N, Ramakumar, S.
Deposit date:2022-11-28
Release date:2023-10-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Mycobacterium tuberculosis methyltransferase Rv2067c manipulates host epigenetic programming to promote its own survival.
Nat Commun, 14, 2023
2N4Q
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BU of 2n4q by Molmil
Solution NMR structure of CBX8 in complex with AF9 (CBX8-AF9)
Descriptor: Chromobox protein homolog 8, Protein AF-9
Authors:Kuntimaddi, A, Leach, B.I, Bushweller, J.H.
Deposit date:2015-06-30
Release date:2016-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of CBX8 in complex with AF9 (CBX8-AF9)
To be Published
1XNI
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BU of 1xni by Molmil
Tandem Tudor Domain of 53BP1
Descriptor: Tumor suppressor p53-binding protein 1
Authors:Huyen, Y, Zgheib, O, DiTullio Jr, R.A, Gorgoulis, V.G, Zacharatos, P, Petty, T.J, Sheston, E.A, Mellert, H.S, Stavridi, E.S, Halazonetis, T.D.
Deposit date:2004-10-05
Release date:2004-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Methylated lysine 79 of histone H3 targets 53BP1 to DNA double-strand breaks
Nature, 432, 2004
5YYF
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BU of 5yyf by Molmil
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group
Descriptor: 2-FUROIC ACID, Peptide inhibitor PHQ-H3(Q5-K9), Protein AF-9, ...
Authors:Li, Y, Li, H.
Deposit date:2017-12-09
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018
6B7G
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BU of 6b7g by Molmil
Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9)
Descriptor: BCL-6 corepressor, Protein AF-9
Authors:Schmidt, C.R, Kuntimaddi, A, Leach, B.I, Bushweller, J.H.
Deposit date:2017-10-04
Release date:2018-10-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:BCOR Binding to MLL-AF9 Is Essential for Leukemia via Altered EYA1, SIX, and MYC Activity.
Blood Cancer Discov, 1, 2020
5CVD
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BU of 5cvd by Molmil
Crystal structure of human NRMT1 in complex with alpha-N-dimethylated human CENP-A peptide
Descriptor: N-teminal peptide from Histone H3-like centromeric protein A, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wu, R, Li, H.
Deposit date:2015-07-26
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for histone N-terminal methylation by NRMT1
Genes Dev., 29, 2015
5CVE
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BU of 5cve by Molmil
Crystal Structure of human NRMT1 in complex with dimethylated fly H2B peptide and SAH
Descriptor: N-terminal Xaa-Pro-Lys N-methyltransferase 1, N-terminal peptide from Histone H2B, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wu, R, Li, H.
Deposit date:2015-07-26
Release date:2015-11-25
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for histone N-terminal methylation by NRMT1
Genes Dev., 29, 2015
7RFK
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BU of 7rfk by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFL
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BU of 7rfl by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946
Descriptor: 1,2-ETHANEDIOL, 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, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFM
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BU of 7rfm by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and 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, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFN
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BU of 7rfn by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158
Descriptor: 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7SE6
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BU of 7se6 by Molmil
Crystal structure of human Fibrillarin in ligand-free state
Descriptor: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEA
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BU of 7sea by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak
Descriptor: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
Descriptor: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021

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