5HID
 
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 | | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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5HJB
 | | AF9 YEATS in complex with histone H3 Crotonylation at K9 | | Descriptor: | Protein AF-9, peptide of Histone H3.1 | | Authors: | Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T. | | Deposit date: | 2016-01-12 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain
Mol.Cell, 62, 2016
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4PP7
 | | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | | Deposit date: | 2014-02-26 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 24, 2014
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5H6R
 | | Crystal structure of LSD1-CoREST in complex with peptide 13 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kkuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2016-11-14 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017
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5HI2
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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2RI7
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5HIE
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | | Descriptor: | Dabrafenib, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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5H6Q
 | | Crystal structure of LSD1-CoREST in complex with peptide 11 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2016-11-14 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017
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4QBQ
 | | Crystal structure of DNMT3a ADD domain bound to H3 peptide | | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone H3, ZINC ION | | Authors: | Li, H, Patel, D.J. | | Deposit date: | 2014-05-08 | | Release date: | 2015-05-13 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Engineering of a histone-recognition domain in a de novo DNA methyltransferase alters the epigenetic landscape of ESCs
To be Published
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2RR4
 | | Complex structure of the zf-CW domain and the H3K4me3 peptide | | Descriptor: | Histone H3, ZINC ION, Zinc finger CW-type PWWP domain protein 1 | | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2010-03-24 | | Release date: | 2010-09-15 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the zinc finger CW domain as a histone modification reader
Structure, 18, 2010
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2RVN
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2RS9
 | | Solution structure of the bromodomain of human BRPF1 in complex with histone H4K5ac peptide | | Descriptor: | Acetylated lysine 5 of peptide from Histone H4, Peregrin | | Authors: | Qin, X, Nagashima, T, Umehara, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-12-08 | | Release date: | 2012-12-12 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Site-specific histone recognition by the bromodomain of Brpf1 and the role in MOZ/MORF histone acetyltransferase complexes
To be Published
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5I3L
 | | DPF3b in complex with H3K14ac peptide | | Descriptor: | 1,2-ETHANEDIOL, H3K14ac peptide, SODIUM ION, ... | | Authors: | Tempel, W, Liu, Y, Walker, J.R, Zhao, A, Qin, S, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-10 | | Release date: | 2016-02-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of DPF3b in complex with an acetylated histone peptide.
J.Struct.Biol., 195, 2016
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2UXN
 | | Structural Basis of Histone Demethylation by LSD1 Revealed by Suicide Inactivation | | Descriptor: | CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Yang, M, Culhane, J.C, Szewczuk, L.M, Gocke, C.B, Brautigam, C.A, Tomchick, D.R, Machius, M, Cole, P.A, Yu, H. | | Deposit date: | 2007-03-28 | | Release date: | 2007-05-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural Basis of Histone Demethylation by Lsd1 Revealed by Suicide Inactivation.
Nat.Struct.Mol.Biol., 14, 2007
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2V83
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4QEO
 | | crystal structure of KRYPTONITE in complex with mCHH DNA, H3(1-15) peptide and SAH | | Descriptor: | DNA 5'-ACTGATGAGTACCAT-3', DNA 5'-GGTACT(5CM)ATCAGTAT-3', Histone H3, ... | | Authors: | Du, J, Li, S, Patel, D.J. | | Deposit date: | 2014-05-17 | | Release date: | 2014-07-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of DNA Methylation-Directed Histone Methylation by KRYPTONITE.
Mol.Cell, 55, 2014
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2V89
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2V88
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2V86
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2V1D
 | | Structural basis of LSD1-CoREST selectivity in histone H3 recognition | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A. | | Deposit date: | 2007-05-23 | | Release date: | 2007-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition.
J.Biol.Chem., 282, 2007
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2V85
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2UWD
 | | Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs | | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ... | | Authors: | Sharp, S.Y, Prodromou, C, Boxall, K, Powers, M.V, Holmes, J.L, Box, G, Matthews, T.P, Cheung, K.M, Kalusa, A, James, K, Hayes, A, Hardcastle, A, Dymock, B, Brough, P.A, Barril, X, Cansfield, J.E, Wright, L.M, Surgenor, A, Foloppe, N, Aherne, W, Pearl, L, Jones, K, McDonald, E, Raynaud, F, Eccles, S, Drysdale, M, Workman, P. | | Deposit date: | 2007-03-20 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues.
Mol. Cancer Ther., 6, 2007
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2V87
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4QYL
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2VNF
 | | MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4 | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, HISTONE H3, ... | | Authors: | Palacios, A, Munoz, I.G, Pantoja-Uceda, D, Marcaida, M.J, Torres, D, Martin-Garcia, J.M, Luque, I, Montoya, G, Blanco, F.J. | | Deposit date: | 2008-02-04 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular Basis of Histone H3K4Me3 Recognition by Ing4
J.Biol.Chem., 283, 2008
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