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7O2R
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BU of 7o2r by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3985
分子名称: 3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 6, ...
著者Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
登録日2021-03-31
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7O2P
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BU of 7o2p by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3756
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
登録日2021-03-31
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.
Acs Med.Chem.Lett., 12, 2021
8A8Z
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BU of 8a8z by Molmil
Crystal structure of Danio rerio HDAC6 CD2 in complex with in situ enzymatically hydrolyzed DFMO-based ITF5924
分子名称: 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide, Histone deacetylase 6, POTASSIUM ION, ...
著者Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
登録日2022-06-27
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Difluoromethyl-1,3,4-oxadiazoles are slow-binding substrate analog inhibitors of histone deacetylase 6 with unprecedented isotype selectivity.
J.Biol.Chem., 299, 2022
5NM7
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BU of 5nm7 by Molmil
Crystal structure of Burkholderia AP3 phage endolysin
分子名称: GLYCINE, Peptidoglycan-binding domain 1, TRIETHYLENE GLYCOL
著者Zrubek, K, Wisniewska, M, Rembacz, K, Maciejewska, B, Drulis-Kawa, Z, Dubin, G.
登録日2017-04-05
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Modular endolysin of Burkholderia AP3 phage has the largest lysozyme-like catalytic subunit discovered to date and no catalytic aspartate residue.
Sci Rep, 7, 2017
6GVX
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BU of 6gvx by Molmil
Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C)
分子名称: 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Maternal embryonic leucine zipper kinase
著者Golik, P, Rembacz, K.P, Zrubek, K, Romanowska, M, Bugusz, J, Wladyka, B, Dubin, G.
登録日2018-06-21
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C).
Arch.Biochem.Biophys., 671, 2019
5O12
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Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
分子名称: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, IMIDAZOLE, Serine/threonine-protein kinase pim-1
著者Dubin, G, Bogusz, J.
登録日2017-05-17
公開日2017-11-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017
5O11
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BU of 5o11 by Molmil
Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Bogusz, J, Dubin, G.
登録日2017-05-17
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017
5O13
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Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
分子名称: (3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one, CHLORIDE ION, IMIDAZOLE, ...
著者Dubin, G, Bogusz, J.
登録日2017-05-17
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017

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件を2024-11-06に公開中

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