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5U4X
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BU of 5u4x by Molmil
Coactivator-associated arginine methyltransferase 1 with TP-064
分子名称: Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2016-12-06
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
5Y5Q
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BU of 5y5q by Molmil
Crystal structure of the WSSV dUTPase D88N/R158E mutant in complex with dUTP
分子名称: DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Wsv112
著者Ma, Q, Zang, K.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The dUTPase of white spot syndrome virus assembles its active sites in a noncanonical manner.
J. Biol. Chem., 293, 2018
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
著者Liu, J, Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
5GMQ
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BU of 5gmq by Molmil
Structure of MERS-CoV RBD in complex with a fully human antibody MCA1
分子名称: 1,2-ETHANEDIOL, MCA1 heavy chain, MCA1 light chain, ...
著者Chen, C, Wang, J.M, Zou, T.T, Gao, X.P, Cui, S, Jin, Q.
登録日2016-07-15
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Human Neutralizing Monoclonal Antibody Inhibition of Middle East Respiratory Syndrome Coronavirus Replication in the Common Marmoset.
J. Infect. Dis., 215, 2017
5Y5O
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BU of 5y5o by Molmil
Crystal structure of the dUTPase of white spot syndrome virus in the apo state
分子名称: Wsv112
著者Ma, Q, Zang, K.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The dUTPase of white spot syndrome virus assembles its active sites in a noncanonical manner.
J. Biol. Chem., 293, 2018
5H1V
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BU of 5h1v by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 6
分子名称: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5VSC
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BU of 5vsc by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13
分子名称: 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5Y0U
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BU of 5y0u by Molmil
The solution structure of AEBP2 C2H2 zinc fingers
分子名称: ZINC ION, Zinc finger protein AEBP2
著者Sun, A, Shi, Y, Wu, J.
登録日2017-07-18
公開日2018-08-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4.
Protein Cell, 9, 2018
5TTG
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BU of 5ttg by Molmil
Crystal structure of catalytic domain of GLP with MS012
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2016-11-03
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5VSD
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BU of 5vsd by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13
分子名称: 1,4-DIETHYLENE DIOXIDE, 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, GLYCEROL, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5ZQ1
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BU of 5zq1 by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.10 angstrom
分子名称: RNA (5'-R(*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Yu, H.L, Jiang, Y.Y.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZQ0
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BU of 5zq0 by Molmil
Crystal structure of spRlmCD with U747loop RNA
分子名称: RNA (5'-R(*GP*UP*(MUM)P*GP*AP*AP*AP*A)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Jiang, Y.Y, Yu, H.L.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5TUY
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BU of 5tuy by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124
分子名称: 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2016-11-07
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
6KI6
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BU of 6ki6 by Molmil
Crystal structure of BCL11A in complex with gamma-globin -115 HPFH region
分子名称: B-cell lymphoma/leukemia 11A, DNA (5'-D(*AP*TP*AP*TP*TP*GP*GP*TP*CP*AP*AP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*TP*GP*AP*CP*CP*AP*AP*TP*A)-3'), ...
著者Li, F.D, Yang, Y, Shi, Y.Y.
登録日2019-07-17
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the recognition of gamma-globin gene promoter by BCL11A.
Cell Res., 29, 2019
5ZQ8
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BU of 5zq8 by Molmil
Crystal structure of spRlmCD with U747 stemloop RNA
分子名称: NICKEL (II) ION, RNA (5'-R(*CP*CP*GP*UP*(MUM)P*GP*AP*AP*AP*AP*GP*G)-3'), S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Jiang, Y.Y, Yu, H.L.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-21
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
5ZTH
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BU of 5zth by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.24 angstrom
分子名称: RNA (5'-R(P*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Jiang, Y.Y, Yu, H.L.
登録日2018-05-03
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5TTW
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BU of 5ttw by Molmil
Crystal Structure of EED in Complex with UNC4859
分子名称: Polycomb protein EED, SULFATE ION, UNC4859, ...
著者The, J, Barnash, K.D, Brown, P.J, Edwards, A.M, Bountra, C, Frye, S.V, James, L.I, Arrowsmith, C.H.
登録日2016-11-04
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2.
ACS Comb Sci, 19, 2017
5ZTM
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BU of 5ztm by Molmil
Crystal structure of MLE dsRBDs in complex with roX2 (R2H1)
分子名称: Dosage compensation regulator, non-coding mRNA sequence roX2
著者Lv, M.Q, Tang, Y.J.
登録日2018-05-04
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Structural insights reveal the specific recognition of roX RNA by the dsRNA-binding domains of the RNA helicase MLE and its indispensable role in dosage compensation in Drosophila.
Nucleic Acids Res., 47, 2019
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
分子名称: CREB-binding protein, Histone H3
著者Xu, L.
登録日2016-06-19
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
6AAU
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BU of 6aau by Molmil
Solution Structure for m62A helix 45 in 3' end of 12S rRNA
分子名称: RNA (24-mer)
著者Liu, X, Wu, P.
登録日2018-07-19
公開日2019-06-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
5VSF
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BU of 5vsf by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17
分子名称: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5VSE
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BU of 5vse by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
分子名称: Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
著者Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
7CQU
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BU of 7cqu by Molmil
GmaS/ADP/MetSox-P complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, MAGNESIUM ION, ...
著者Li, C.Y, Zhang, Y.Z.
登録日2020-08-11
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020

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