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5INH
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BU of 5inh by Molmil
Crystal structure of Autotaxin/ENPP2 with a covalent fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Klein, M.G, Tjhen, R.
登録日2016-03-07
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
2P2R
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BU of 2p2r by Molmil
Crystal structure of the third KH domain of human Poly(C)-Binding Protein-2 in complex with C-rich strand of human telomeric DNA
分子名称: 6-AMINOPYRIMIDIN-2(1H)-ONE, C-rich strand of human telomeric DNA, Poly(rC)-binding protein 2
著者James, T.L, Stroud, R.M, Du, Z, Fenn, S, Tjhen, R, Lee, J.K.
登録日2007-03-07
公開日2007-06-12
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the third KH domain of human poly(C)-binding protein-2 in complex with a C-rich strand of human telomeric DNA at 1.6 A resolution.
Nucleic Acids Res., 35, 2007
7K41
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BU of 7k41 by Molmil
Bacterial O-GlcNAcase (OGA) with compound
分子名称: 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ...
著者Lane, W, Tjhen, R, Snell, G, Sang, B.
登録日2020-09-14
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
2JZX
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BU of 2jzx by Molmil
PCBP2 KH1-KH2 domains
分子名称: Poly(rC)-binding protein 2
著者Du, Z, Fenn, S, Tjhen, R, James, T.
登録日2008-01-21
公開日2008-08-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the first and second KH domains of human poly-C binding protein-2 reveals insights into its regulatory mechanisms
To be Published
5URM
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BU of 5urm by Molmil
Crystal structure of human BRR2 in complex with T-1206548
分子名称: 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Klein, M.G, Tjhen, R, Qin, L.
登録日2017-02-11
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URJ
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BU of 5urj by Molmil
Crystal structure of human BRR2 in complex with T-3905516
分子名称: 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Klein, M.G, Tjhen, R, Qin, L.
登録日2017-02-10
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URK
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BU of 5urk by Molmil
Crystal structure of human BRR2 in complex with T-3935799
分子名称: 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Qin, L, Tjhen, R, Klein, M.G.
登録日2017-02-10
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
2AXY
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BU of 2axy by Molmil
Crystal Structure of KH1 domain of human Poly(C)-binding protein-2 with C-rich strand of human telomeric DNA
分子名称: C-rich strand of human telomeric dna, Poly(rC)-binding protein 2
著者Du, Z, Lee, J.K, Tjhen, R.J, Li, S, Stroud, R.M, James, T.L.
登録日2005-09-06
公開日2005-09-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the First KH Domain of Human Poly(C)-binding Protein-2 in Complex with a C-rich Strand of Human Telomeric DNA at 1.7 A
J.Biol.Chem., 280, 2005
3C4B
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BU of 3c4b by Molmil
Structure of RNaseIIIb and dsRNA binding domains of mouse Dicer
分子名称: Endoribonuclease Dicer
著者Lee, J.K, Du, Z, Tjhen, R.J, Stroud, R.M, James, T.L.
登録日2008-01-29
公開日2008-02-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and biochemical insights into the dicing mechanism of mouse Dicer: A conserved lysine is critical for dsRNA cleavage.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C4T
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BU of 3c4t by Molmil
Structure of RNaseIIIb and dsRNA binding domains of mouse Dicer
分子名称: CADMIUM ION, Endoribonuclease Dicer
著者Lee, J.K, Du, Z, Tjhen, R.J, Stroud, R.M, James, T.L.
登録日2008-01-30
公開日2008-02-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and biochemical insights into the dicing mechanism of mouse Dicer: A conserved lysine is critical for dsRNA cleavage.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6N3L
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BU of 6n3l by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N3N
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BU of 6n3n by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N3O
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BU of 6n3o by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
2PQU
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BU of 2pqu by Molmil
Crystal structure of KH1 domain of human PCBP2 complexed to single-stranded 12-mer telomeric dna
分子名称: 12-mer C-rich strand of human telomeric DNA, Poly(rC)-binding protein 2
著者James, T.L, Lee, J.
登録日2007-05-02
公開日2007-06-12
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献X-ray crystallographic and NMR studies of protein-protein and protein-nucleic acid interactions involving the KH domains from human poly(C)-binding protein-2.
Rna, 13, 2007
2PY9
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BU of 2py9 by Molmil
Protein-RNA Interaction involving KH1 domain from Human Poly(C)-Binding Protein-2
分子名称: 12-mer C-rich strand of human telomeric RNA, Poly(rC)-binding protein 2
著者James, T.L, Du, Z, Lee, J.K.
登録日2007-05-15
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献X-ray crystallographic and NMR studies of protein-protein and protein-nucleic acid interactions involving the KH domains from human poly(C)-binding protein-2.
Rna, 13, 2007
5UNP
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BU of 5unp by Molmil
Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine]
分子名称: Dual specificity protein kinase CLK2, N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
著者Klein, M.G, Tjhen, R.
登録日2017-01-31
公開日2018-05-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献A novel CLK inhibitor exhibits anti-tumor efficacies via modulating pre-mRNA splicing and targeting a MYC-dependent vulnerability
Embo Mol Med, 2018

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件を2024-08-28に公開中

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