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7OF0
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BU of 7of0 by Molmil
Structure of a human mitochondrial ribosome large subunit assembly intermediate in complex with MTERF4-NSUN4 (dataset1).
分子名称: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
著者Hillen, H.S, Lavdovskaia, E, Nadler, F, Hanitsch, E, Linden, A, Bohnsack, K.E, Urlaub, H, Richter-Dennerlein, R.
登録日2021-05-04
公開日2021-06-09
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structural basis of GTPase-mediated mitochondrial ribosome biogenesis and recycling.
Nat Commun, 12, 2021
6HTH
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BU of 6hth by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5
分子名称: 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-04
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSF
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BU of 6hsf by Molmil
Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051
分子名称: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-01
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HU3
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BU of 6hu3 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor
分子名称: 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSH
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BU of 6hsh by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat
分子名称: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-01
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.545 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HT8
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BU of 6ht8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
分子名称: 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-10-03
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HU2
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BU of 6hu2 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11
分子名称: 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6IL7
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BU of 6il7 by Molmil
Structure of Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F (AhpF) C503A mutant
分子名称: SULFATE ION, Thioredoxin reductase/glutathione-related protein
著者Toh, Y.K, Shin, J, Balakrishna, A.M, Eisenhaber, F, Eisenhaber, B, Gruber, G.
登録日2018-10-17
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Effect of the additional cysteine 503 of vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F (AhpF) and the mechanism of AhpF and subunit C assembling.
Free Radic. Biol. Med., 138, 2019
7SGQ
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BU of 7sgq by Molmil
Protease inhibitors variant, CTI-homolog pacifastin
分子名称: Protease inhibitor LCMI-II, SULFATE ION
著者Gewe, M.M, Strong, R.K.
登録日2021-10-07
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
7SLT
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BU of 7slt by Molmil
Protease inhibitors variant, CTI-homolog pacifastin
分子名称: GLYCEROL, Protease inhibitor LCMI-II
著者Gewe, M.M, Strong, R.K.
登録日2021-10-24
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
5F79
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BU of 5f79 by Molmil
Influenza PB2 bound to an azaindole inhibitor
分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-12-07
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
6HU1
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BU of 6hu1 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10
分子名称: 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HU0
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BU of 6hu0 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9
分子名称: 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTG
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BU of 6htg by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4
分子名称: 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-04
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSZ
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BU of 6hsz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2
分子名称: 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-10-02
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.374 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HQY
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BU of 6hqy by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051
分子名称: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-09-25
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
1H7K
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BU of 1h7k by Molmil
Formation of a tyrosyl radical intermediate in Proteus mirabilis catalase by directed mutagenesis and consequences for nucleotide reactivity
分子名称: ACETATE ION, CATALASE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Andreoletti, P, Gambarelli, S, Gaillard, J, Sainz, G, Stojanoff, V, Jouve, H.M.
登録日2001-07-08
公開日2004-02-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Formation of a Tyrosyl Radical Intermediate in Proteus Mirabilis Catalase by Directed Mutagenesis and Consequences for Nucleotide Reactivity.
Biochemistry, 40, 2001
6HSG
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BU of 6hsg by Molmil
Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149
分子名称: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-01
公開日2018-10-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HRQ
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BU of 6hrq by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149
分子名称: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-09-28
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTI
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BU of 6hti by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6
分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-04
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTT
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BU of 6htt by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7
分子名称: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-04
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTZ
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BU of 6htz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8
分子名称: 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
5UT2
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BU of 5ut2 by Molmil
JAK2 JH2 in complex with PRT062607
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, ACETATE ION, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
5USZ
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BU of 5usz by Molmil
JAK2 JH2 in complex with JNJ-7706621
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
5UT3
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BU of 5ut3 by Molmil
JAK2 JH2 in complex with IKK-2 Inhibitor VI
分子名称: 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, ACETATE ION, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017

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