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4A24
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Structural and functional analysis of the DEAF-1 and BS69 MYND domains
分子名称: DEFORMED EPIDERMAL AUTOREGULATORY FACTOR 1 HOMOLOG, ZINC ION
著者Kateb, F, Perrin, H, Tripsianes, K, Zou, P, Spadaccini, R, Bottomley, M, Bepperling, A, Ansieau, S, Sattler, M.
登録日2011-09-22
公開日2012-11-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and Functional Analysis of the Deaf-1 and Bs69 Mynd Domains.
Plos One, 8, 2013
2JW6
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Solution structure of the DEAF1 MYND domain
分子名称: Deformed epidermal autoregulatory factor 1 homolog, ZINC ION
著者Spadaccini, R, Perrin, H, Bottomley, M, Ansieu, S, Sattler, M.
登録日2007-10-08
公開日2007-12-25
最終更新日2013-04-10
実験手法SOLUTION NMR
主引用文献Retraction notice to "Structure and functional analysis of the MYND domain" [J. Mol. Biol. (2006) 358, 498-508].
J.Mol.Biol., 376, 2008
2ODD
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BU of 2odd by Molmil
Solution structure of the MYND domain from AML1-ETO complexed with SMRT, a corepressor
分子名称: Protein CBFA2T1, SMRT, ZINC ION
著者Liu, Y.Z, Chen, W, Gaudet, J, Cheney, M.D, Roudaia, L, Cierpicki, T, Klet, R.C, Hartman, K, Laue, T.M, Speck, N.A, Bushweller, J.H.
登録日2006-12-22
公開日2007-06-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity.
Cancer Cell, 11, 2007
2OD1
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Solution structure of the MYND domain from human AML1-ETO
分子名称: Protein CBFA2T1, ZINC ION
著者Liu, Y.Z, Chen, W, Gaudet, J, Cheney, M.D, Roudaia, L, Cierpicki, T, Klet, R.C, Hartman, K, Laue, T.M, Speck, N.A, Bushweller, J.H.
登録日2006-12-21
公開日2007-06-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity.
Cancer Cell, 11, 2007
2D8Q
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BU of 2d8q by Molmil
Solution structure of the MYND domain of the human zinc finger MYND domain-containing protein 10
分子名称: ZINC ION, Zinc finger MYND domain containing protein 10
著者Miyamoto, K, Kigawa, T, Tomizawa, T, Tochio, N, Sasagawa, A, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-08
公開日2006-06-08
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure of the MYND domain of the human zinc finger MYND domain-containing protein 10
To be Published
2DAN
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The solution structure of the MYND domain (LEU384-CYS430) of human Zinc finger MYND domain containing protein 10
分子名称: ZINC ION, Zinc finger MYND domain containing protein 10
著者Sasagawa, A, Miyamoto, K, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-14
公開日2006-06-14
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献The solution structure of the MYND domain (LEU384-CYS430) of human Zinc finger MYND domain containing protein 10
To be Published
2DJ8
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Solution Structure of zf-MYND Domain of Protein CBFA2TI (Protein MTG8)
分子名称: Protein CBFA2T1, ZINC ION
著者Niraula, T.N, Sasagawa, A, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-03-31
公開日2006-10-01
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution Structure of zf-MYND Domain of Protein CBFA2TI (Protein MTG8)
To be published
7BJ1
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Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site
分子名称: ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ...
著者Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H.
登録日2021-01-13
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase
Chembiochem, 22, 2021
4O6F
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Structural Basis of Estrogen Receptor Alpha Methylation Mediated by Histone Methyltransferase SmyD2
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Estrogen receptor, N-lysine methyltransferase SMYD2, ...
著者Jiang, Y, Trescott, L, Holcomb, J, Brunzelle, J, Sirinupong, N, Shi, X, Yang, Z.
登録日2013-12-20
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Structural Insights into Estrogen Receptor alpha Methylation by Histone Methyltransferase SMYD2, a Cellular Event Implicated in Estrogen Signaling Regulation.
J.Mol.Biol., 426, 2014
4WUY
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BU of 4wuy by Molmil
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
分子名称: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
著者Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
登録日2014-11-04
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
8J07
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96nm repeat of human respiratory doublet microtubule and associated axonemal complexes
分子名称: ACTA2, Axonemal dynein light intermediate polypeptide 1, Calaxin, ...
著者Gui, M, Brown, A.
登録日2023-04-09
公開日2023-07-26
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Axonemal structures reveal mechanoregulatory and disease mechanisms.
Nature, 618, 2023
5HQ8
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Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2016-01-21
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
5HI7
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Co-crystal structure of human SMYD3 with an aza-SAH compound
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2016-01-11
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
6YUH
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Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site
分子名称: Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H.
登録日2020-04-27
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Chembiochem, 22, 2021
4YND
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The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
分子名称: 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, ...
著者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.
登録日2015-03-09
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
8OWO
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SMYD3 in complex with fragment FL01507
分子名称: 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2023-04-28
公開日2023-08-30
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
6ZRB
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Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127
分子名称: ACETATE ION, Histone-lysine N-methyltransferase SMYD3, N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide, ...
著者Talibov, V.O, Eriksson, D.
登録日2020-07-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3
Eur.J.Med.Chem., 2022
6IJL
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Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
7O2A
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X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15
分子名称: (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, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
7QNR
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SMYD3 in complex with fragment FL01791
分子名称: 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
7QNU
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SMYD3 in complex with fragment FL08619
分子名称: BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
7O2C
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X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035
分子名称: (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, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
7O2B
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X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6
分子名称: (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, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
7QLB
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SMYD3 in complex with fragment FL06268
分子名称: 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-20
公開日2023-03-29
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
5V3H
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Crystal structure of SMYD2 with SAM and EPZ033294
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Boriack-Sjodin, P.A.
登録日2017-03-07
公開日2018-04-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献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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