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8H1T
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BU of 8h1t by Molmil
Cryo-EM structure of BAP1-ASXL1 bound to chromatosome
分子名称: DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ...
著者Ge, W, Yu, C, Xu, R.M.
登録日2022-10-04
公開日2023-02-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase.
Nature, 616, 2023
5H14
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BU of 5h14 by Molmil
EED in complex with an allosteric PRC2 inhibitor EED666
分子名称: 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
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
5H15
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BU of 5h15 by Molmil
EED in complex with PRC2 allosteric inhibitor EED709
分子名称: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, 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 (2.27 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
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
5H13
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BU of 5h13 by Molmil
EED in complex with PRC2 allosteric inhibitor EED396
分子名称: 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ...
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
5H17
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BU of 5h17 by Molmil
EED in complex with PRC2 allosteric inhibitor EED210
分子名称: (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, 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 (2.3 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
1D2R
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BU of 1d2r by Molmil
2.9 A CRYSTAL STRUCTURE OF LIGAND-FREE TRYPTOPHANYL-TRNA SYNTHETASE: DOMAIN MOVEMENTS FRAGMENT THE ADENINE NUCLEOTIDE BINDING SITE.
分子名称: PROTEIN (TRYPTOPHANYL TRNA SYNTHETASE)
著者Ilyin, V.A, Carter Jr, C.W.
登録日1999-09-27
公開日2000-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2.9 A crystal structure of ligand-free tryptophanyl-tRNA synthetase: domain movements fragment the adenine nucleotide binding site.
Protein Sci., 9, 2000
2LN0
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BU of 2ln0 by Molmil
Structure of MOZ
分子名称: Histone acetyltransferase KAT6A, ZINC ION
著者Qiu, Y.
登録日2011-12-15
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription.
Genes Dev., 26, 2012
4NXL
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BU of 4nxl by Molmil
Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
分子名称: DszC
著者Zhang, L, Duan, X, Li, X, Rao, Z.
登録日2013-12-09
公開日2014-07-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the stabilization of active, tetrameric DszC by its C-terminus.
Proteins, 82, 2014
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
著者Yan, M, Zhang, H.
登録日2022-11-08
公開日2023-04-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
8IQF
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BU of 8iqf by Molmil
Cryo-EM structure of the dimeric human CAF1-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-03-16
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8J6T
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BU of 8j6t by Molmil
Cryo-EM structure of the double CAF-1 bound right-handed Di-tetrasome
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-04-26
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8J6S
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BU of 8j6s by Molmil
Cryo-EM structure of the single CAF-1 bound right-handed Di-tetrasome
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-04-26
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8IQG
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BU of 8iqg by Molmil
Cryo-EM structure of the monomeric human CAF1-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-03-16
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
5ZAZ
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BU of 5zaz by Molmil
Solution structure of integrin b2 monomer tranmembrane domain in bicelle
分子名称: Integrin beta-2
著者Li, H, Guo, J, Xu, C.
登録日2018-02-09
公開日2018-10-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Intramembrane ionic protein-lipid interaction regulates integrin structure and function.
PLoS Biol., 16, 2018
5IG8
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BU of 5ig8 by Molmil
Crystal structure of macrocyclase MdnB from Microcystis aeruginosa MRC
分子名称: ATP grasp ligase
著者Li, K, Condurso, H.L, Bruner, S.D.
登録日2016-02-27
公開日2016-09-21
最終更新日2016-10-26
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
5IG9
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BU of 5ig9 by Molmil
Crystal structure of macrocyclase MdnC bound with precursor peptide MdnA from Microcystis aeruginosa MRC
分子名称: ATP grasp ligase, Microviridin
著者Li, K, Condurso, H.L, Bruner, S.D.
登録日2016-02-27
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.665 Å)
主引用文献Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
7UYD
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BU of 7uyd by Molmil
Inhibitor bound VIM1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Fischmann, T.O, Scapin, G.
登録日2022-05-06
公開日2023-05-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYA
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BU of 7uya by Molmil
Inhibitor bound VIM1
分子名称: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
著者Fischmann, T.O, Scapin, G.
登録日2022-05-06
公開日2023-05-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYC
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BU of 7uyc by Molmil
Inhibitor bound VIM1
分子名称: (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ...
著者Fischmann, T.O, Scapin, G.
登録日2022-05-06
公開日2023-05-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYB
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BU of 7uyb by Molmil
Inhibitor bound VIM1
分子名称: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
著者Fischmann, T.O, Scapin, G.
登録日2022-05-06
公開日2023-05-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
2QIC
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BU of 2qic by Molmil
Crystal Structure of the ING1 PHD Finger in complex with a Histone H3K4ME3 peptide
分子名称: H3K4ME3 PEPTIDE, Inhibitor of growth protein 1, ZINC ION
著者Pena, P.V, Champagne, K, Zhao, R, Kutateladze, T.G.
登録日2007-07-03
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histone H3K4me3 binding is required for the DNA repair and apoptotic activities of ING1 tumor suppressor.
J.Mol.Biol., 380, 2008
5Z1S
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BU of 5z1s by Molmil
Crystal Structure Analysis of the BRD4(1)
分子名称: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
2K86
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BU of 2k86 by Molmil
Solution Structure of FOXO3a Forkhead domain
分子名称: Forkhead box protein O3
著者Wang, F, Marshall, C.B, Li, G, Plevin, M.J, Ikura, M.
登録日2008-09-02
公開日2008-10-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Biochemical and structural characterization of an intramolecular interaction in FOXO3a and its binding with p53.
J.Mol.Biol., 384, 2008
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018

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