8V4X
 
 | | Structure of MALT1 in complex with an allosteric inhibitor | | Descriptor: | Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | | Authors: | Judge, R.A, Pappano, W.N. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.486 Å) | | Cite: | Inhibition of MALT1 and BCL2 induces synergistic anti-tumor activity in models of B cell lymphoma.
Mol.Cancer Ther., 2024
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4YND
 | | 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
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4NVQ
 | | 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
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5K0M
 | | Targeting the PRC2 complex through a novel protein-protein interaction inhibitor of EED | | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Bigelow, L.J, Zhu, H, Sun, C. | | Deposit date: | 2016-05-17 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
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5TEG
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7SIU
 | | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | | Deposit date: | 2021-10-14 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.786 Å) | | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
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3LZB
 | | EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor | | Descriptor: | Epidermal growth factor receptor, N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide | | Authors: | Swinger, K.K. | | Deposit date: | 2010-03-01 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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5CPR
 | | 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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