3N4L
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![BU of 3n4l by Molmil](/molmil-images/mine/3n4l) | BACE-1 in complex with ELN380842 | 分子名称: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide | 著者 | Yao, N.H. | 登録日 | 2010-05-21 | 公開日 | 2010-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg.Med.Chem.Lett., 20, 2010
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1OIB
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1CU1
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![BU of 1cu1 by Molmil](/molmil-images/mine/1cu1) | |
2O5D
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2OBJ
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![BU of 2obj by Molmil](/molmil-images/mine/2obj) | Crystal structure of human PIM-1 Kinase in complex with inhibitor | 分子名称: | 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE, Proto-oncogene serine/threonine-protein kinase Pim-1 | 著者 | Yao, N, Cheney, I.W, Yan, S. | 登録日 | 2006-12-19 | 公開日 | 2007-02-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase. Bioorg.Med.Chem.Lett., 17, 2007
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2HWH
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![BU of 2hwh by Molmil](/molmil-images/mine/2hwh) | HCV NS5B allosteric inhibitor complex | 分子名称: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE, RNA-directed RNA polymerase (NS5B) (p68) | 著者 | Yao, N. | 登録日 | 2006-08-01 | 公開日 | 2006-11-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2I1R
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![BU of 2i1r by Molmil](/molmil-images/mine/2i1r) | Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure | 分子名称: | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE, RNA-directed RNA polymerase (NS5B) (P68) | 著者 | Yao, N, Yan, S. | 登録日 | 2006-08-14 | 公開日 | 2006-10-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure. Bioorg.Med.Chem.Lett., 17, 2007
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2HWI
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![BU of 2hwi by Molmil](/molmil-images/mine/2hwi) | HCV NS5B allosteric inhibitor complex | 分子名称: | (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID, RNA-directed RNA polymerase (NS5B) (p68) | 著者 | Yao, N. | 登録日 | 2006-08-01 | 公開日 | 2006-11-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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4I0J
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4I0D
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4I0G
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1HEI
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![BU of 1hei by Molmil](/molmil-images/mine/1hei) | |
4I0I
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4I0E
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4I0F
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3QI1
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1HSL
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4I0H
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4HZT
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![BU of 4hzt by Molmil](/molmil-images/mine/4hzt) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | 分子名称: | 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION | 著者 | Yao, N, Brecht, E. | 登録日 | 2012-11-15 | 公開日 | 2013-03-06 | 最終更新日 | 2013-04-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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1QUI
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![BU of 1qui by Molmil](/molmil-images/mine/1qui) | PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY GLY COMPLEX WITH BROMINE AND PHOSPHATE | 分子名称: | BROMIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN | 著者 | Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A. | 登録日 | 1995-11-11 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor. Biochemistry, 35, 1996
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1QUJ
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![BU of 1quj by Molmil](/molmil-images/mine/1quj) | PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY GLY COMPLEX WITH CHLORINE AND PHOSPHATE | 分子名称: | CHLORIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN | 著者 | Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A. | 登録日 | 1995-11-11 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor. Biochemistry, 35, 1996
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1QUL
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![BU of 1qul by Molmil](/molmil-images/mine/1qul) | PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY THR COMPLEX WITH CHLORINE AND PHOSPHATE | 分子名称: | CHLORIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN | 著者 | Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A. | 登録日 | 1995-11-11 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor. Biochemistry, 35, 1996
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1QUK
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![BU of 1quk by Molmil](/molmil-images/mine/1quk) | PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY ASN COMPLEX WITH PHOSPHATE | 分子名称: | PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN | 著者 | Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A. | 登録日 | 1995-11-11 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor. Biochemistry, 35, 1996
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2ABH
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![BU of 2abh by Molmil](/molmil-images/mine/2abh) | PHOSPHATE-BINDING PROTEIN (RE-REFINED) | 分子名称: | PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN | 著者 | Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A. | 登録日 | 1995-11-28 | 公開日 | 1997-04-21 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor. Biochemistry, 35, 1996
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5Y1Z
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![BU of 5y1z by Molmil](/molmil-images/mine/5y1z) | Crystal structure of ZMYND8 PHD-BROMO-PWWP tandem in complex with Drebrin ADF-H domain | 分子名称: | Drebrin, GLYCEROL, Protein kinase C-binding protein 1, ... | 著者 | Yao, N, Li, J, Liu, H, Wan, J, Liu, W, Zhang, M. | 登録日 | 2017-07-22 | 公開日 | 2017-10-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.676 Å) | 主引用文献 | The Structure of the ZMYND8/Drebrin Complex Suggests a Cytoplasmic Sequestering Mechanism of ZMYND8 by Drebrin Structure, 25, 2017
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