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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
Descriptor: 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
Deposit date:2022-06-27
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: GLYCINE, Peptidoglycan-binding domain 1, TRIETHYLENE GLYCOL
Authors:Zrubek, K, Wisniewska, M, Rembacz, K, Maciejewska, B, Drulis-Kawa, Z, Dubin, G.
Deposit date:2017-04-05
Release date:2018-02-14
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
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
Descriptor: 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, ...
Authors:Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
Deposit date:2021-03-31
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
Deposit date:2021-03-31
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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)
Descriptor: 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Maternal embryonic leucine zipper kinase
Authors:Golik, P, Rembacz, K.P, Zrubek, K, Romanowska, M, Bugusz, J, Wladyka, B, Dubin, G.
Deposit date:2018-06-21
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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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BU of 5o12 by Molmil
Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
Descriptor: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, IMIDAZOLE, Serine/threonine-protein kinase pim-1
Authors:Dubin, G, Bogusz, J.
Deposit date:2017-05-17
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Bogusz, J, Dubin, G.
Deposit date:2017-05-17
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017
5O13
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BU of 5o13 by Molmil
Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
Descriptor: (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, ...
Authors:Dubin, G, Bogusz, J.
Deposit date:2017-05-17
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017

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