3GS3
 
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2LX1
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2O83
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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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4RYL
 | | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | | Descriptor: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-15 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
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6N8H
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7RQ5
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6N8I
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6N8F
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6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-10-11 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
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6BPI
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-23 | | Release date: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates
to be published
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6AU3
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
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2DD1
 | | Three consecutive sheared GA pairs in 5'GGUGGAGGCU/3'PCCAAAGCCG | | Descriptor: | 5'-R(*GP*CP*CP*GP*AP*AP*AP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*GP*AP*GP*GP*CP*U)-3' | | Authors: | Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H. | | Deposit date: | 2006-01-19 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA
Biochemistry, 45, 2006
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2DD3
 | | An alternating sheared AA pair in 5'GGUGAAGGCU/3'PCCGAAGCCG: II. The minor conformation with A6/A5/A16 stack | | Descriptor: | 5'-R(*GP*CP*CP*GP*AP*AP*GP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*AP*AP*GP*GP*CP*U)-3' | | Authors: | Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H. | | Deposit date: | 2006-01-19 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA
Biochemistry, 45, 2006
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2DD2
 | | An alternating sheared AA pair in 5'GGUGAAGGCU/3'PCCGAAGCCG: I. The major conformation with A6/A15/A16 stack | | Descriptor: | 5'-R(*GP*CP*CP*GP*AP*AP*GP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*AP*AP*GP*GP*CP*U)-3' | | Authors: | Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H. | | Deposit date: | 2006-01-19 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA
Biochemistry, 45, 2006
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3FLD
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1XV0
 | | Solution NMR structure of RNA internal loop with three consecutive sheared GA pairs in 5'GGUGGAGGCU/3'PCCGAAGCCG | | Descriptor: | 5'-R(*GP*CP*CP*GP*AP*AP*GP*CP*CP*(P5P)-3', 5'-R(*GP*GP*UP*GP*GP*AP*GP*GP*CP*U)-3' | | Authors: | Chen, G, Znosko, B.M, Kennedy, S.D, Krugh, T.R, Turner, D.H. | | Deposit date: | 2004-10-26 | | Release date: | 2004-11-09 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of an RNA Internal Loop with Three Consecutive Sheared GA Pairs
Biochemistry, 44, 2005
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1TUT
 | | J4/5 Loop from the Candida albicans and Candida dubliniensis Group I Introns | | Descriptor: | 5'-R(*GP*AP*GP*GP*AP*AP*GP*GP*CP*GP*A)-3', 5'-R(*UP*CP*GP*UP*UP*AP*AP*UP*CP*UP*C)-3' | | Authors: | Znosko, B.M, Kennedy, S.D, Wille, P.C, Krugh, T.R, Turner, D.H. | | Deposit date: | 2004-06-25 | | Release date: | 2004-12-28 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structural Features and Thermodynamics of the J4/5 Loop from the Candida albicans and Candida dubliniensis Group I Introns.
Biochemistry, 43, 2004
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2L8F
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2MXK
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2MXJ
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2MXL
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5V2R
 | | Structure of a GA Rich 8x8 Nucleotide RNA Internal Loop | | Descriptor: | RNA (5'-R(*CP*CP*AP*GP*AP*AP*AP*CP*GP*GP*AP*UP*GP*GP*A)-3') | | Authors: | Kauffmann, A.D, Kennedy, S.D, Turner, D.H. | | Deposit date: | 2017-03-06 | | Release date: | 2017-07-26 | | Last modified: | 2020-01-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Structure of an 8 8 Nucleotide RNA Internal Loop Flanked on Each Side by Three Watson-Crick Pairs and Comparison to Three-Dimensional Predictions.
Biochemistry, 56, 2017
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2KY0
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2KY1
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