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4NVQ
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BU of 4nvq by Molmil
Human G9a in Complex with Inhibitor A-366
Descriptor: 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Sweis, R.F, Pliushchev, M, Brown, P.J, Guo, J, Li, F, Maag, D, Petros, A.M, Soni, N.B, Tse, C, Vedadi, M, Michaelides, M.R, Chiang, G.G, Pappano, W.N.
Deposit date:2013-12-05
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and development of potent and selective inhibitors of histone methyltransferase g9a.
ACS Med Chem Lett, 5, 2014
4YND
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BU of 4ynd by Molmil
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
Descriptor: N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
Authors:Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N.
Deposit date:2015-03-09
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
5UPF
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BU of 5upf by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53
Descriptor: 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
Descriptor: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5CPR
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BU of 5cpr by Molmil
The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity
Descriptor: 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ...
Authors:Jakob, C.G, Upadhyay, A.K, Sun, C.
Deposit date:2015-07-21
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017

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