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6X9J
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BU of 6x9j by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9I
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Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
8FS1
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
8FS2
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BU of 8fs2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
1ML9
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BU of 1ml9 by Molmil
Structure of the Neurospora SET domain protein DIM-5, a histone lysine methyltransferase
Descriptor: Histone H3 methyltransferase DIM-5, UNKNOWN LIGAND, ZINC ION
Authors:Zhang, X, Tamaru, H, Khan, S.I, Horton, J.R, Keefe, L.J, Selker, E.U, Cheng, X.
Deposit date:2002-08-30
Release date:2002-10-23
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the Neurospora SET domain protein DIM-5, a histone H3 lysine methyltransferase
Cell(Cambridge,Mass.), 111, 2002
1MOZ
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BU of 1moz by Molmil
ADP-ribosylation factor-like 1 (ARL1) from Saccharomyces cerevisiae
Descriptor: ADP-ribosylation factor-like protein 1, GUANOSINE-5'-DIPHOSPHATE
Authors:Amor, J.C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A.
Deposit date:2002-09-10
Release date:2002-10-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structures of Yeast ARF2 and ARL1: DISTINCT ROLES FOR THE N TERMINUS IN THE STRUCTURE AND FUNCTION OF ARF FAMILY GTPases
J.Biol.Chem., 276, 2001
1MR3
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BU of 1mr3 by Molmil
Saccharomyces cerevisiae ADP-ribosylation Factor 2 (ScArf2) complexed with GDP-3'P at 1.6A resolution
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ADP-ribosylation factor 2, ...
Authors:Amor, J.-C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A.
Deposit date:2002-09-17
Release date:2002-11-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of yeast ARF2 and ARL1: distinct roles for the N terminus in the structure and function of ARF family GTPases.
J.Biol.Chem., 276, 2001
3MO2
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BU of 3mo2 by Molmil
human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67
Descriptor: 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
Authors:Chang, Y, Horton, J.R, Cheng, X.
Deposit date:2010-04-22
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
3MO5
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BU of 3mo5 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
Descriptor: 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
Authors:Chang, Y, Horton, J.R, Cheng, X.
Deposit date:2010-04-22
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
3MO0
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BU of 3mo0 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
Authors:Chang, Y, Horton, J.R, Cheng, X.
Deposit date:2010-04-22
Release date:2010-06-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
1YNM
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BU of 1ynm by Molmil
Crystal structure of restriction endonuclease HinP1I
Descriptor: R.HinP1I restriction endonuclease
Authors:Yang, Z, Horton, J.R, Maunus, R, Wilson, G.G, Roberts, R.J, Cheng, X.
Deposit date:2005-01-24
Release date:2005-05-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of HinP1I endonuclease reveals a striking similarity to the monomeric restriction enzyme MspI
Nucleic Acids Res., 33, 2005
3QXY
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BU of 3qxy by Molmil
Human SETD6 in complex with RelA Lys310
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ...
Authors:Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X.
Deposit date:2011-03-02
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
3OS5
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BU of 3os5 by Molmil
SET7/9-Dnmt1 K142me1 complex
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Dnmt1, ...
Authors:Esteve, P.-O, Chang, Y, Samaranayake, M, Upadhyay, A.K, Horton, J.R, Feehery, G.R, Cheng, X, Pradhan, S.
Deposit date:2010-09-08
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A methylation and phosphorylation switch between an adjacent lysine and serine determines human DNMT1 stability.
Nat.Struct.Mol.Biol., 18, 2011
3RC0
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BU of 3rc0 by Molmil
Human SETD6 in complex with RelA Lys310 peptide
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ...
Authors:Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X.
Deposit date:2011-03-30
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
3QO2
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BU of 3qo2 by Molmil
Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9
Descriptor: 1,2-ETHANEDIOL, Histone H3 peptide, M-phase phosphoprotein 8
Authors:Chang, Y, Horton, J.R, Bedford, M.T, Zhang, X, Cheng, X.
Deposit date:2011-02-09
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9: potential effect of phosphorylation on methyl-lysine binding.
J.Mol.Biol., 408, 2011
7MHT
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BU of 7mht by Molmil
CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX
Descriptor: 5'-D(P*CP*CP*AP*TP*GP*AP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ...
Authors:O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X.
Deposit date:1998-08-05
Release date:1998-11-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base.
Nat.Struct.Biol., 5, 1998
1Q0T
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BU of 1q0t by Molmil
Ternary Structure of T4DAM with AdoHcy and DNA
Descriptor: 5'-D(*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*T)-3', DNA adenine methylase, IODIDE ION, ...
Authors:Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X.
Deposit date:2003-07-17
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the bacteriophage T4 DNA adenine methyltransferase
Nat.Struct.Biol., 10, 2003
2G45
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BU of 2g45 by Molmil
Co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase T (isot) in complex with ubiquitin
Descriptor: CHLORIDE ION, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors:Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D.
Deposit date:2006-02-21
Release date:2006-04-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
1Q0S
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BU of 1q0s by Molmil
Binary Structure of T4DAM with AdoHcy
Descriptor: DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X.
Deposit date:2003-07-17
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the bacteriophage T4 DNA adenine methyltransferase
Nat.Struct.Biol., 10, 2003
2G43
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BU of 2g43 by Molmil
Structure of the ZNF UBP domain from deubiquitinating enzyme isopeptidase T (IsoT)
Descriptor: UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ZINC ION
Authors:Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D.
Deposit date:2006-02-21
Release date:2006-04-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
1PEG
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BU of 1peg by Molmil
Structural basis for the product specificity of histone lysine methyltransferases
Descriptor: Histone H3, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Zhang, X, Yang, Z, Khan, S.I, Horton, J.R, Tamaru, H, Selker, E.U, Cheng, X.
Deposit date:2003-05-21
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for the product specificity of histone lysine methyltransferases
Mol.Cell, 12, 2003
1BM8
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BU of 1bm8 by Molmil
DNA-BINDING DOMAIN OF MBP1
Descriptor: TRANSCRIPTION FACTOR MBP1
Authors:Xu, R.-M, Koch, C, Liu, Y, Horton, J.R, Knapp, D, Nasmyth, K, Cheng, X.
Deposit date:1998-07-29
Release date:1999-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of the DNA-binding domain of Mbp1, a transcription factor important in cell-cycle control of DNA synthesis.
Structure, 5, 1997
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023

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