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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
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
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
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
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
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
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
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
6S6E
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BU of 6s6e by Molmil
Crystal structure of the engineered ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc I161_F162PinsL)
分子名称: Engineered ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc I161_F162PinsL)
著者Schenkmayerova, A, Damborsky, J, Marek, M.
登録日2019-07-03
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
5FUG
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BU of 5fug by Molmil
Crystal structure of a human YL1-H2A.Z-H2B complex
分子名称: HISTONE H2A.Z, HISTONE H2B TYPE 1-J, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 72 HOMOLOG
著者Latrick, C.M, Marek, M, Ouararhni, K, Papin, C, Stoll, I, Ignatyeva, M, Obri, A, Ennifar, E, Dimitrov, S, Romier, C, Hamiche, A.
登録日2016-01-27
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Basis and Specificity of H2A.Z-H2B Recognition and Deposition by the Histone Chaperone Yl1
Nat.Struct.Mol.Biol., 23, 2016
8AQH
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BU of 8aqh by Molmil
NanoLuc-Y94A luciferase mutant
分子名称: NanoLuc luciferase
著者Nemergut, M, Marek, M.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8AQ6
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BU of 8aq6 by Molmil
NanoLuc luciferase with bound furimamide in surface allosteric site
分子名称: CHLORIDE ION, GLYCEROL, N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide, ...
著者Nemergut, M, Marek, M.
登録日2022-08-11
公開日2023-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8AQI
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BU of 8aqi by Molmil
NanoLuc luciferase with bound coelenteramide in surface allosteric site
分子名称: CHLORIDE ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, NanoLuc luciferase, ...
著者Nemergut, M, Marek, M.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8OOH
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BU of 8ooh by Molmil
Cryo-EM map of the focused refinement of the subfamily III haloalkane dehalogenase from Haloferax mediterranei dimer forming hexameric assembly.
分子名称: Alpha/beta fold hydrolase
著者Polak, M, Novacek, J, Chmelova, K, Marek, M.
登録日2023-04-05
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Multimeric structure of a subfamily III haloalkane dehalogenase-like enzyme solved by combination of cryo-EM and x-ray crystallography.
Protein Sci., 32, 2023
8AX8
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BU of 8ax8 by Molmil
Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P3121)
分子名称: Maltose/maltodextrin-binding periplasmic protein,Apolipoprotein E
著者Nemergut, M, Marek, M.
登録日2022-08-31
公開日2023-08-02
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
8AX9
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BU of 8ax9 by Molmil
Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P212121)
分子名称: Maltose/maltodextrin-binding periplasmic protein,Apolipoprotein E
著者Nemergut, M, Marek, M.
登録日2022-08-31
公開日2023-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
7OMO
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BU of 7omo by Molmil
Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant
分子名称: 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol, CHLORIDE ION, GLYCEROL, ...
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2023-01-18
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
分子名称: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
分子名称: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
著者Schenkmayerova, A, Janin, Y.L, Marek, M.
登録日2021-05-21
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
6YN2
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BU of 6yn2 by Molmil
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
分子名称: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
著者Damborsky, J, Marek, M.
登録日2020-04-10
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
6S97
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BU of 6s97 by Molmil
Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT)
分子名称: Fragment transplantation onto hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT)
著者Schenkmayerova, A, Damborsky, J, Marek, M.
登録日2019-07-11
公開日2020-08-26
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021

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