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2JPS
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BU of 2jps by Molmil
NAB2 N-terminal domain
分子名称: Nuclear polyadenylated RNA-binding protein NAB2
著者Grant, R, Marshall, N.J, Yang, J, Fasken, M, Kelly, S, Harreman, M.T, Neuhaus, D, Corbett, A.H, Stewart, M.
登録日2007-05-23
公開日2008-03-18
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Structure of the N-terminal Mlp1-binding domain of the Saccharomyces cerevisiae mRNA-binding protein, Nab2
J.Mol.Biol., 376, 2008
4X9V
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BU of 4x9v by Molmil
PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C
分子名称: Phosphopeptide macrocycle 3C, Serine/threonine-protein kinase PLK1
著者Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
登録日2014-12-11
公開日2015-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4X9W
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BU of 4x9w by Molmil
PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 4C
分子名称: Macrocyclic phosphopeptide 4C, Serine/threonine-protein kinase PLK1
著者Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
登録日2014-12-11
公開日2015-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4X9R
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PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B
分子名称: Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1
著者Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
登録日2014-12-11
公開日2015-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
2PIE
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BU of 2pie by Molmil
Crystal structure of the FHA domain of RNF8 in complex with its optimal phosphopeptide
分子名称: E3 ubiquitin-protein ligase RNF8, phosphopeptide
著者Grant, R.A, Yaffe, M.B.
登録日2007-04-13
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献RNF8 Transduces the DNA-Damage Signal via Histone Ubiquitylation and Checkpoint Protein Assembly.
Cell(Cambridge,Mass.), 131, 2007
6G0W
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BU of 6g0w by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor MCD72
分子名称: 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Thorsell, A.G, Holechek, J, Lease, R, Ferraris, D, Schuler, H.
登録日2018-03-20
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14.
Bioorg. Med. Chem. Lett., 28, 2018
5UGH
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BU of 5ugh by Molmil
Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366
分子名称: 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2
著者Kaiser, S.E, Feng, J, Stewart, A.E.
登録日2017-01-08
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.062 Å)
主引用文献Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A.
Nat. Chem. Biol., 13, 2017
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
6B3W
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Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018

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