5I0V
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5T8E
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4X2I
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![BU of 4x2i by Molmil](/molmil-images/mine/4x2i) | Discovery of benzotriazolo diazepines as orally-active inhibitors of BET bromodomains: Crystal structure of BRD4 with CPI-13 | 分子名称: | (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, Bromodomain-containing protein 4, FORMIC ACID | 著者 | Bellon, S.F, Jayaram, H, Poy, F. | 登録日 | 2014-11-26 | 公開日 | 2015-11-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. Acs Med.Chem.Lett., 7, 2016
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4X3O
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![BU of 4x3o by Molmil](/molmil-images/mine/4x3o) | Sirt2 in complex with a myristoyl peptide | 分子名称: | 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | 著者 | Wang, Y, Zhang, W.Z, Hao, Q. | 登録日 | 2014-12-01 | 公開日 | 2016-01-13 | 最終更新日 | 2022-04-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure. Cell Chem Biol, 24, 2017
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3I57
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![BU of 3i57 by Molmil](/molmil-images/mine/3i57) | Type 2 repeat of the mucus binding protein MUB from Lactobacillus reuteri | 分子名称: | CALCIUM ION, Mucus binding protein | 著者 | Hemmings, A.M, MacKenzie, D.A, Tailford, L.E, Juge, N. | 登録日 | 2009-07-03 | 公開日 | 2009-09-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a mucus binding protein repeat reveals an unexpected functional immunoglobulin binding activity. J.Biol.Chem., 284, 2009
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5I88
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![BU of 5i88 by Molmil](/molmil-images/mine/5i88) | BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | 分子名称: | 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ... | 著者 | Murray, J.M. | 登録日 | 2016-02-18 | 公開日 | 2016-10-12 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5IAY
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![BU of 5iay by Molmil](/molmil-images/mine/5iay) | NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide | 分子名称: | E3 ubiquitin-protein ligase UHRF1, Spacer | 著者 | Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y. | 登録日 | 2016-02-22 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition Nat Commun, 7, 2016
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4X60
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![BU of 4x60 by Molmil](/molmil-images/mine/4x60) | Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | 分子名称: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2014-12-06 | 公開日 | 2015-04-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
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5THU
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![BU of 5thu by Molmil](/molmil-images/mine/5thu) | Crystal Structure of G304A HDAC8 in complex with M344 | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | 著者 | Porter, N.J, Christianson, D.W. | 登録日 | 2016-09-30 | 公開日 | 2016-12-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
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3HO5
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4X7Q
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![BU of 4x7q by Molmil](/molmil-images/mine/4x7q) | PIM2 kinase in complex with Compound 1s | 分子名称: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2 | 著者 | Marcotte, D.J, Silvian, L.F. | 登録日 | 2014-12-09 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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4X7K
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![BU of 4x7k by Molmil](/molmil-images/mine/4x7k) | Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | 分子名称: | 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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5TMO
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![BU of 5tmo by Molmil](/molmil-images/mine/5tmo) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate | 著者 | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-10-13 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.172 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TN8
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![BU of 5tn8 by Molmil](/molmil-images/mine/5tn8) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate | 分子名称: | 3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-10-13 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.652 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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1CON
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![BU of 1con by Molmil](/molmil-images/mine/1con) | THE REFINED STRUCTURE OF CADMIUM SUBSTITUTED CONCANAVALIN A AT 2.0 ANGSTROMS RESOLUTION | 分子名称: | CADMIUM ION, CALCIUM ION, CONCANAVALIN A | 著者 | Naismith, J.H, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Kalb(Gilboa), A.J, Yariv, J, Wan, T.C.M, Weisgerber, S. | 登録日 | 1993-03-16 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Refined structure of cadmium-substituted concanavalin A at 2.0 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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3HNA
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![BU of 3hna by Molmil](/molmil-images/mine/3hna) | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and mono-Methylated H3K9 Peptide | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, Mono-Methylated H3K9 Peptide, ... | 著者 | Min, J, Wu, H, Loppnau, P, Wleigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2009-05-30 | 公開日 | 2009-06-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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5T8J
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1SZI
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5T8R
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![BU of 5t8r by Molmil](/molmil-images/mine/5t8r) | Crystal structure of human BAZ2A PHD zinc finger in complex with unmodified H3 10-mer | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, Histone H3.1, ... | 著者 | Amato, A, Gadd, M.S, Bortoluzzi, A, Ciulli, A. | 登録日 | 2016-09-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis of molecular recognition of helical histone H3 tail by PHD finger domains. Biochem. J., 474, 2017
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5ISC
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![BU of 5isc by Molmil](/molmil-images/mine/5isc) | Crystal structure of mouse CARM1 in complex with inhibitor SA0491 | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0491 To Be Published
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1AK8
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![BU of 1ak8 by Molmil](/molmil-images/mine/1ak8) | NMR SOLUTION STRUCTURE OF CERIUM-LOADED CALMODULIN AMINO-TERMINAL DOMAIN (CE2-TR1C), 23 STRUCTURES | 分子名称: | CALMODULIN, CERIUM (III) ION | 著者 | Bentrop, D, Bertini, I, Cremonini, M.A, Forsen, S, Luchinat, C, Malmendal, A. | 登録日 | 1997-05-29 | 公開日 | 1997-09-17 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the paramagnetic complex of the N-terminal domain of calmodulin with two Ce3+ ions by 1H NMR. Biochemistry, 36, 1997
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5IS7
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![BU of 5is7 by Molmil](/molmil-images/mine/5is7) | Crystal structure of mouse CARM1 in complex with decarboxylated SAH | 分子名称: | 1,2-ETHANEDIOL, 5'-S-(3-aminopropyl)-5'-thioadenosine, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with decarboxylated SAH To Be Published
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4YC9
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![BU of 4yc9 by Molmil](/molmil-images/mine/4yc9) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i) | 分子名称: | GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ... | 著者 | Poncet-Montange, G, Palmer, W, Jones, P. | 登録日 | 2015-02-19 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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5JP0
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![BU of 5jp0 by Molmil](/molmil-images/mine/5jp0) | Bacteroides ovatus Xyloglucan PUL GH3B with bound glucose | 分子名称: | Beta-glucosidase BoGH3B, MAGNESIUM ION, beta-D-glucopyranose | 著者 | Hemsworth, G.R, Thompson, A.J, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | 登録日 | 2016-05-03 | 公開日 | 2016-08-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
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5JW9
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