8EV9
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![BU of 8ev9 by Molmil](/molmil-images/mine/8ev9) | |
8EVC
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![BU of 8evc by Molmil](/molmil-images/mine/8evc) | |
6IZQ
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![BU of 6izq by Molmil](/molmil-images/mine/6izq) | PRMT4 bound with a bicyclic compound | 分子名称: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | 著者 | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | 登録日 | 2018-12-20 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | 主引用文献 | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
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7LO8
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![BU of 7lo8 by Molmil](/molmil-images/mine/7lo8) | NorA in complex with Fab36 | 分子名称: | Fab36 Heavy Chain, Fab36 Light Chain, Quinolone resistance protein NorA | 著者 | Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. | 登録日 | 2021-02-09 | 公開日 | 2022-04-20 | 最終更新日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | 主引用文献 | Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
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7LO7
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![BU of 7lo7 by Molmil](/molmil-images/mine/7lo7) | NorA in complex with Fab25 | 分子名称: | Fab25 Heavy Chain, Fab25 Light Chain, Quinolone resistance protein NorA | 著者 | Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. | 登録日 | 2021-02-09 | 公開日 | 2022-04-20 | 最終更新日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | 主引用文献 | Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
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2KW0
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![BU of 2kw0 by Molmil](/molmil-images/mine/2kw0) | |
3D1M
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![BU of 3d1m by Molmil](/molmil-images/mine/3d1m) | |
2IC2
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![BU of 2ic2 by Molmil](/molmil-images/mine/2ic2) | |
2IBG
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![BU of 2ibg by Molmil](/molmil-images/mine/2ibg) | |
2IBB
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5BWA
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![BU of 5bwa by Molmil](/molmil-images/mine/5bwa) | Crystal structure of ODC-PLP-AZ1 ternary complex | 分子名称: | Ornithine decarboxylase, Ornithine decarboxylase antizyme 1, PYRIDOXAL-5'-PHOSPHATE | 著者 | Wu, D.H. | 登録日 | 2015-06-07 | 公開日 | 2015-12-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of Ornithine Decarboxylase inactivation and accelerated degradation by polyamine sensor Antizyme1 Sci Rep, 5, 2015
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5ECE
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![BU of 5ece by Molmil](/molmil-images/mine/5ece) | Tankyrase 1 with Phthalazinone 1 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | 著者 | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | 登録日 | 2015-10-20 | 公開日 | 2015-11-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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4O0Z
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![BU of 4o0z by Molmil](/molmil-images/mine/4o0z) | |
4NLD
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![BU of 4nld by Molmil](/molmil-images/mine/4nld) | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | 分子名称: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | 著者 | Sheriff, S. | 登録日 | 2013-11-14 | 公開日 | 2014-03-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem., 57, 2014
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4O12
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4O10
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![BU of 4o10 by Molmil](/molmil-images/mine/4o10) | Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | 分子名称: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Oh, A, Wang, W. | 登録日 | 2013-12-14 | 公開日 | 2014-06-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase. Chembiochem, 15, 2014
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5EBT
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![BU of 5ebt by Molmil](/molmil-images/mine/5ebt) | Tankyrase 1 with Phthalazinone 2 | 分子名称: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | 著者 | Kazmirski, S.L, Johannes, J. | 登録日 | 2015-10-19 | 公開日 | 2016-03-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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6UML
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![BU of 6uml by Molmil](/molmil-images/mine/6uml) | Structural Basis for Thalidomide Teratogenicity Revealed by the Cereblon-DDB1-SALL4-Pomalidomide Complex | 分子名称: | DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | 著者 | Clayton, T.L, Matyskiela, M.E, Pagarigan, B.E, Tran, E.T, Chamberlain, P.P. | 登録日 | 2019-10-09 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | 主引用文献 | Crystal structure of the SALL4-pomalidomide-cereblon-DDB1 complex. Nat.Struct.Mol.Biol., 27, 2020
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8JP2
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![BU of 8jp2 by Molmil](/molmil-images/mine/8jp2) | Crystal structure of AKR1C1 in complex with DFV | 分子名称: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | 登録日 | 2023-06-10 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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8JP1
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![BU of 8jp1 by Molmil](/molmil-images/mine/8jp1) | Crystal structure of AKR1C3 in complex with DFV | 分子名称: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | 登録日 | 2023-06-10 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of AKR1Cs by liquiritigenin and the structural basis. Chem.Biol.Interact., 385, 2023
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2YEX
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![BU of 2yex by Molmil](/molmil-images/mine/2yex) | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | 分子名称: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | 登録日 | 2011-03-31 | 公開日 | 2012-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2YER
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![BU of 2yer by Molmil](/molmil-images/mine/2yer) | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | 分子名称: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | 登録日 | 2011-03-30 | 公開日 | 2012-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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8GUO
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![BU of 8guo by Molmil](/molmil-images/mine/8guo) | |
8GUP
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![BU of 8gup by Molmil](/molmil-images/mine/8gup) | |
8GUN
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![BU of 8gun by Molmil](/molmil-images/mine/8gun) | |