2JLE
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![BU of 2jle by Molmil](/molmil-images/mine/2jle) | Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays | 分子名称: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH | 著者 | Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M. | 登録日 | 2008-09-08 | 公開日 | 2009-08-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays. J.Med.Chem., 52, 2009
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5BNW
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![BU of 5bnw by Molmil](/molmil-images/mine/5bnw) | The active site of O-GlcNAc transferase imposes constraints on substrate sequence | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191 | 著者 | Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F. | 登録日 | 2015-05-26 | 公開日 | 2015-08-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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6NT2
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![BU of 6nt2 by Molmil](/molmil-images/mine/6nt2) | type 1 PRMT in complex with the inhibitor GSK3368715 | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ... | 著者 | Concha, N.O. | 登録日 | 2019-01-28 | 公開日 | 2019-07-10 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss. Cancer Cell, 36, 2019
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5C1D
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![BU of 5c1d by Molmil](/molmil-images/mine/5c1d) | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L) | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, PHOSPHATE ION, Retinoblastoma-like protein 2, ... | 著者 | Schimpl, M, Rafie, K, van Aalten, D.M.F. | 登録日 | 2015-06-13 | 公開日 | 2015-08-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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4X63
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![BU of 4x63 by Molmil](/molmil-images/mine/4x63) | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH | 分子名称: | Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ... | 著者 | Boriack-Sjodin, P.A. | 登録日 | 2014-12-06 | 公開日 | 2015-04-22 | 最終更新日 | 2015-05-27 | 実験手法 | X-RAY DIFFRACTION (3.05 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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4XI9
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![BU of 4xi9 by Molmil](/molmil-images/mine/4xi9) | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | 著者 | Schimpl, M, van Aalten, D.M.F. | 登録日 | 2015-01-06 | 公開日 | 2015-08-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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4XIF
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![BU of 4xif by Molmil](/molmil-images/mine/4xif) | Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Keratin, type II cytoskeletal 7, ... | 著者 | Schimpl, M, van Aalten, D.M.F. | 登録日 | 2015-01-06 | 公開日 | 2015-08-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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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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4X61
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![BU of 4x61 by Molmil](/molmil-images/mine/4x61) | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM | 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 (2.85 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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4AY5
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![BU of 4ay5 by Molmil](/molmil-images/mine/4ay5) | Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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4AY6
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![BU of 4ay6 by Molmil](/molmil-images/mine/4ay6) | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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4BJU
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![BU of 4bju by Molmil](/molmil-images/mine/4bju) | Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target | 分子名称: | MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE | 著者 | Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F. | 登録日 | 2013-04-19 | 公開日 | 2013-05-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target. Biosci.Rep, 33, 2013
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4BJX
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![BU of 4bjx by Molmil](/molmil-images/mine/4bjx) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726) | 分子名称: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C. | 登録日 | 2013-04-20 | 公開日 | 2013-10-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Bet Inhibition Silences Expression of Mycn and Bcl2 and Induces Cytotoxicity in Neuroblastoma Tumor Models. Plos One, 8, 2013
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