6P7Z
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6PAF
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5V37
| Crystal structure of SMYD3 with SAM and EPZ028862 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2017-03-06 | Release date: | 2018-03-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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5CCL
| Crystal structure of SMYD3 with SAM and oxindole compound | Descriptor: | 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-07-02 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
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7O2C
| X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035 | Descriptor: | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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3QWP
| Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1 | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ... | Authors: | Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-28 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3 To be Published
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6P6K
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6ZRB
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7O2A
| X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15 | Descriptor: | (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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7QNR
| SMYD3 in complex with fragment FL01791 | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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6O9O
| Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Elkins, P.A, Wang, L. | Deposit date: | 2019-03-14 | Release date: | 2020-03-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.586 Å) | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors To be published
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6P6G
| Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Elkins, P.A, Wang, L. | Deposit date: | 2019-06-03 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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7BJ1
| Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | Descriptor: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | Authors: | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | Deposit date: | 2021-01-13 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase Chembiochem, 22, 2021
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7QNU
| SMYD3 in complex with fragment FL08619 | Descriptor: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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5XXJ
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3PDN
| Crystal structure of SmyD3 in complex with methyltransferase inhibitor sinefungin | Descriptor: | GLYCEROL, MAGNESIUM ION, SET and MYND domain-containing protein 3, ... | Authors: | Sirinupong, N, Brunzelle, J, Yang, Z. | Deposit date: | 2010-10-23 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights into the Autoinhibition and Posttranslational Activation of Histone Methyltransferase SmyD3. J.Mol.Biol., 406, 2011
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5HQ8
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8OWO
| SMYD3 in complex with fragment FL01507 | Descriptor: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2023-04-28 | Release date: | 2023-08-30 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening. Rsc Med Chem, 15, 2024
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7QLB
| SMYD3 in complex with fragment FL06268 | Descriptor: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-20 | Release date: | 2023-03-29 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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3RU0
| Cocrystal structure of human SMYD3 with inhibitor Sinefungin bound | Descriptor: | SET and MYND domain-containing protein 3, SINEFUNGIN, ZINC ION | Authors: | Foreman, K.W, Brown, M, Park, F, Emtage, S, Harriss, J, Das, C, Zhu, L, Crew, A, Arnold, L, Shaaban, S, Tucker, P. | Deposit date: | 2011-05-04 | Release date: | 2011-05-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Structural and Functional Profiling of the Human Histone Methyltransferase SMYD3. Plos One, 6, 2011
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6YUH
| Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site | Descriptor: | Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H. | Deposit date: | 2020-04-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase. Chembiochem, 22, 2021
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7O2B
| X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6 | Descriptor: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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3MEK
| Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine | Descriptor: | S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ZINC ION | Authors: | Lam, R, Dombrovski, L, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-04-14 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine To be Published
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5YJO
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5XXG
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