Author results

1CU1
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CRYSTAL STRUCTURE OF AN ENZYME COMPLEX FROM HEPATITIS C VIRUS
分子名称:PROTEIN (PROTEASE/HELICASE NS3), ZINC ION, PHOSPHATE ION
著者Yao, N., Weber, P.C.
登録日1999-08-20
公開日2000-08-23
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease-helicase.
Structure Fold.Des., 7, 1999
1HEI
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STRUCTURE OF THE HEPATITIS C VIRUS RNA HELICASE DOMAIN
分子名称:HCV HELICASE, CALCIUM ION
著者Yao, N., Weber, P.
登録日1997-03-31
公開日1998-10-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the hepatitis C virus RNA helicase domain.
Nat.Struct.Biol., 4, 1997
1HSL
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REFINED 1.89 ANGSTROMS STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH MANY OTHER ACTIVE TRANSPORT(SLASH)CHEMOSENSORY RECEPTORS
分子名称:HISTIDINE-BINDING PROTEIN, CADMIUM ION, HISTIDINE
著者Yao, N., Trakhanov, S., Quiocho, F.A.
登録日1994-01-03
公開日1994-05-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Refined 1.89-A structure of the histidine-binding protein complexed with histidine and its relationship with many other active transport/chemosensory proteins.
Biochemistry, 33, 1994
1OIB
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PHOSPHATE-BINDING PROTEIN MUTANT T141D
分子名称:PHOSPHATE-BINDING PROTEIN
著者Yao, N., Choudhary, A., Ledvina, P.S., Quiocho, F.A.
登録日1995-11-25
公開日1997-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 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
1QUI
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PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY GLY COMPLEX WITH BROMINE AND PHOSPHATE
分子名称:PHOSPHATE-BINDING PROTEIN, BROMIDE ION, PHOSPHATE ION
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2018-03-21
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
1QUJ
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PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY GLY COMPLEX WITH CHLORINE AND PHOSPHATE
分子名称:PHOSPHATE-BINDING PROTEIN, CHLORIDE ION, PHOSPHATE ION
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2011-07-13
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
1QUK
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PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY ASN COMPLEX WITH PHOSPHATE
分子名称:PHOSPHATE-BINDING PROTEIN, PHOSPHATE ION
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2011-07-13
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
1QUL
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PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY THR COMPLEX WITH CHLORINE AND PHOSPHATE
分子名称:PHOSPHATE-BINDING PROTEIN, PHOSPHATE ION, CHLORIDE ION
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2011-07-13
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
2ABH
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PHOSPHATE-BINDING PROTEIN (RE-REFINED)
分子名称:PHOSPHATE-BINDING PROTEIN, PHOSPHATE ION
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2011-07-13
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
5Y1Z
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CRYSTAL STRUCTURE OF ZMYND8 PHD-BROMO-PWWP TANDEM IN COMPLEX WITH DREBRIN ADF-H DOMAIN
分子名称:Drebrin, Protein kinase C-binding protein 1, SULFATE ION, ...
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2017-11-22
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
2HWH
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HCV NS5B ALLOSTERIC INHIBITOR COMPLEX
分子名称:RNA-directed RNA polymerase (NS5B) (p68), 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE
著者Yao, N.
登録日2006-08-01
公開日2006-11-07
最終更新日2011-07-13
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
2HWI
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HCV NS5B ALLOSTERIC INHIBITOR COMPLEX
分子名称:RNA-directed RNA polymerase (NS5B) (p68), (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
著者Yao, N.
登録日2006-08-01
公開日2006-11-07
最終更新日2011-07-13
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
2I1R
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NOVEL THIAZOLONES AS HCV NS5B POLYMERASE INHIBITORS: FURTHER DESIGNS, SYNTHESIS, SAR AND X-RAY COMPLEX STRUCTURE
分子名称:RNA-directed RNA polymerase (NS5B) (P68), (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE
著者Yao, N., Yan, S.
登録日2006-08-14
公開日2006-10-31
最終更新日2011-07-13
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
2O5D
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THIAZOLONE-ACYLSULFONAMIDES AS NOVEL HCV NS5B POLYMERASE ALLOSTERIC INHIBITORS: CONVERGENCE OF STRUCTURE-BASED DRUG DESIGN AND X-RAY CRYSTALLOGRAPHIC STUDY
分子名称:HCV, (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE
著者Yao, N.
登録日2006-12-05
公開日2007-02-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study.
Bioorg.Med.Chem.Lett., 17, 2007
2OBJ
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CRYSTAL STRUCTURE OF HUMAN PIM-1 KINASE IN COMPLEX WITH INHIBITOR
分子名称:Proto-oncogene serine/threonine-protein kinase Pim-1, 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
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2011-07-13
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
3QI1
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DESIGN AND SYNTHESIS OF HYDROXYETHYLAMINE (HEA) BACE-1 INHIBITORS: PRIME SIDE CHROMANE-CONTAINING INHIBITORS
分子名称:Beta-secretase 1, N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
著者Yao, N.
登録日2011-01-26
公開日2012-03-28
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4HZT
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STRUCTURE-BASED DESIGN OF NOVEL DIHYDROISOQUINOLINE BACE-1 INHIBITORS THAT DO NOT ENGAGE THE CATALYTIC ASPARTATES
分子名称:Beta-secretase 1, ZINC ION, 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one
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
4I0D
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DESIGN AND SYNTHESIS OF THIOPHENE DIHYDROISOQUINOLINS AS NOVEL BACE-1 INHIBITORS
分子名称:Beta-secretase 1, ZINC ION, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine
著者Yao, N., Brecht, E.
登録日2012-11-16
公開日2013-10-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0E
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DESIGN AND SYNTHESIS OF THIOPHENE DIHYDROISOQUINOLINS AS NOVEL BACE-1 INHIBITORS
分子名称:Beta-secretase 1, ZINC ION, 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine
著者Yao, N., Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0F
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DESIGN AND SYNTHESIS OF THIOPHENE DIHYDROISOQUINOLINS AS NOVEL BACE-1 INHIBITORS
分子名称:Beta-secretase 1, ZINC ION, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine
著者Yao, N., Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0G
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DESIGN AND SYNTHESIS OF THIOPHENE DIHYDROISOQUINOLINS AS NOVEL BACE-1 INHIBITORS
分子名称:Beta-secretase 1, ZINC ION, 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine
著者Yao, N., Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.78 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
4I0H
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SPR AND STRUCTURAL ANALYSIS YIELD INSIGHT TOWARDS MECHANISM OF INHIBITION OF BACE INHIBITORS.
分子名称:Beta-secretase 1, (2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid
著者Yao, N., Brecht, E.
登録日2012-11-16
公開日2013-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors
To be Published
4I0I
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SPR AND STRUCTURAL ANALYSIS YIELD INSIGHT TOWARDS MECHANISM OF INHIBITION OF BACE INHIBITORS
分子名称:Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
著者Yao, N., Brecht, E.
登録日2012-11-16
公開日2013-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors
To be Published
4I0J
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SPR AND STRUCTURAL ANALYSIS YIELD INSIGHT TOWARDS MECHANISM OF INHIBITION OF BACE INHIBITORS
分子名称:Beta-secretase 1, ZINC ION, 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., Brecht, E.
登録日2012-11-16
公開日2013-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors
TO BE PUBLISHED
2OBO
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH476776
分子名称:HCV NS3 protease, HCV NS4A peptide, ZINC ION, ...
著者Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers Jr., J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R., Arasappan, A., Bennett, F., Bogen, S.F., Chen, K., Jao, E., Liu, Y., Love, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2012-12-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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