5HQ8
 
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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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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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8J07
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6N3G
 | | Crystal structure of histone lysine methyltransferase SmyD2 in complex with polyethylene glycol | | Descriptor: | DODECAETHYLENE GLYCOL, ETHANOL, N-lysine methyltransferase SMYD2, ... | | Authors: | Perry, E, Spellmon, N, Brunzelle, J, Yang, Z. | | Deposit date: | 2018-11-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal structure of histone lysine methyltransferase SmyD2 in complex with polyethylene glycol
To be Published
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3N71
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6MON
 | | Crystal structure of human SMYD2 in complex with Nle-peptide inhibitor | | Descriptor: | GLYCEROL, LYS-LEU-NLE-SER-LYS-ARG-GLY, N-lysine methyltransferase SMYD2, ... | | Authors: | Spellmon, N, Cornett, E, Brunzelle, J, Rothbart, S, Yang, Z. | | Deposit date: | 2018-10-04 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | A functional proteomics platform to reveal the sequence determinants of lysine methyltransferase substrate selectivity.
Sci Adv, 4, 2018
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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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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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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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6P6K
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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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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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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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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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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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5ARF
 | | SMYD2 in complex with small molecule inhibitor compound-2 | | Descriptor: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | | Deposit date: | 2015-09-24 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
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5ARG
 | | SMYD2 in complex with SGC probe BAY-598 | | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | | Deposit date: | 2015-09-24 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
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5CCM
 | | Crystal structure of SMYD3 with SAM and EPZ030456 | | Descriptor: | 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Boriack-Sjodin, P.A. | | Deposit date: | 2015-07-02 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 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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3S7J
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3S7B
 | | Structural Basis of Substrate Methylation and Inhibition of SMYD2 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2011-05-26 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
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3S7D
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3TG5
 | | Structure of SMYD2 in complex with p53 and SAH | | Descriptor: | Cellular tumor antigen p53, GLYCEROL, N-lysine methyltransferase SMYD2, ... | | Authors: | Zhao, K, Wang, L. | | Deposit date: | 2011-08-17 | | Release date: | 2011-08-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of human SMYD2 reveals the basis of p53 tumor suppressor methylation
J.Biol.Chem., 2011
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