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5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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BU of 5y94 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8Z
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BU of 5y8z by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
登録日2023-04-01
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY9
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BU of 6zy9 by Molmil
Cryo-EM structure of MlaFEDB in complex with AMP-PNP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
分子名称: Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
5XXH
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BU of 5xxh by Molmil
Crystal Structure Analysis of the CBP
分子名称: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M.
登録日2017-07-04
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5YQX
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BU of 5yqx by Molmil
Crystal Structure Analysis of the BRD4
分子名称: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Xue, X, Zhang, Y, Wang, C, Song, M.
登録日2017-11-08
公開日2018-11-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
8I6K
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BU of 8i6k by Molmil
Structure of hMNDA HIN with dsDNA
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ...
著者Li, Y.L, Jin, T.C.
登録日2023-01-28
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural mechanism of dsDNA recognition by the hMNDA HIN domain: New insights into the DNA-binding model of a PYHIN protein.
Int.J.Biol.Macromol., 245, 2023
5Y8C
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BU of 5y8c by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
4RZV
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BU of 4rzv by Molmil
Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib
分子名称: N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Wu, Y, Gavathiotis, E.
登録日2014-12-24
公開日2016-08-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
4RZW
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BU of 4rzw by Molmil
Crystal structure of BRAF (R509H) kinase domain bound to AZ628
分子名称: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf
著者Wu, Y, Gavathiotis, E.
登録日2014-12-24
公開日2016-08-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.493 Å)
主引用文献An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
8HF2
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BU of 8hf2 by Molmil
Cryo-EM structure of WeiTsing
分子名称: PRA1 family protein
著者Qin, L, Tang, L.H, Chen, Y.H.
登録日2022-11-09
公開日2023-06-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
分子名称: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
著者Zhuang, L.
登録日2023-09-14
公開日2024-01-31
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
8WCE
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BU of 8wce by Molmil
Cryo-EM structure of a protein-RNA complex
分子名称: MAGNESIUM ION, RNA (31-MER), RNA (66-MER), ...
著者Li, Z.
登録日2023-09-11
公開日2024-05-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Molecular mechanism for target RNA recognition and cleavage of Cas13h.
Nucleic Acids Res., 52, 2024
8X3R
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BU of 8x3r by Molmil
Crystal structure of human WDR5 in complex with WDR5
分子名称: WD repeat-containing protein 5
著者Liu, Y, Huang, X.
登録日2023-11-14
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024

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件を2024-07-24に公開中

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