Author results

1FEA
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UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.2 ANGSTROM RESOLUTION
分子名称:TRYPANOTHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Strickland, C., Karplus, P.
登録日1995-07-12
公開日1997-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published
1FEB
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UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.0 ANGSTROM RESOLUTION
分子名称:TRYPANOTHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Strickland, C., Karplus, P.
登録日1995-07-12
公開日1997-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published
1FEC
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UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 1.7 ANGSTROM RESOLUTION
分子名称:TRYPANOTHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Strickland, C., Karplus, P.
登録日1995-07-12
公開日1997-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published
3CIB
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STRUCTURE OF BACE BOUND TO SCH727596
分子名称:Beta-secretase 1, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide, D(-)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CIC
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STRUCTURE OF BACE BOUND TO SCH709583
分子名称:Beta-secretase 1, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide, D(-)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CID
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STRUCTURE OF BACE BOUND TO SCH726222
分子名称:Beta-secretase 1, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide, D(-)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3LPI
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STRUCTURE OF BACE BOUND TO SCH745132
分子名称:Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C., Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPJ
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STRUCTURE OF BACE BOUND TO SCH743641
分子名称:Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C., Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPK
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STRUCTURE OF BACE BOUND TO SCH747123
分子名称:Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
著者Strickland, C., Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
2BED
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STRUCTURE OF FPT BOUND TO INHIBITOR SCH207736
分子名称:Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Strickland, C.
登録日2005-10-24
公開日2006-08-08
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Enhanced FTase activity achieved via piperazine interaction with catalytic zinc.
Bioorg.Med.Chem.Lett., 16, 2006
3KMX
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STRUCTURE OF BACE BOUND TO SCH346572
分子名称:Beta-secretase 1, 4-butoxy-3-chlorobenzyl imidothiocarbamate
著者Strickland, C., Wang, Y.
登録日2009-11-11
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3KMY
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STRUCTURE OF BACE BOUND TO SCH12472
分子名称:Beta-secretase 1, 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
著者Strickland, C., Wang, Y.
登録日2009-11-11
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3KN0
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STRUCTURE OF BACE BOUND TO SCH708236
分子名称:Beta-secretase 1, 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, L(+)-TARTARIC ACID
著者Strickland, C., Wang, Y.
登録日2009-11-11
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
3L58
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STRUCTURE OF BACE BOUND TO SCH589432
分子名称:Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
著者Strickland, C., Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L59
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STRUCTURE OF BACE BOUND TO SCH710413
分子名称:Beta-secretase 1, D(-)-TARTARIC ACID, (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one
著者Strickland, C., Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5B
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STRUCTURE OF BACE BOUND TO SCH713601
分子名称:Beta-secretase 1, D(-)-TARTARIC ACID, (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
著者Strickland, C., Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5C
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STRUCTURE OF BACE BOUND TO SCH723871
分子名称:Beta-secretase 1, D(-)-TARTARIC ACID, 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
著者Strickland, C., Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5D
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STRUCTURE OF BACE BOUND TO SCH723873
分子名称:Beta-secretase 1, D(-)-TARTARIC ACID, 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
著者Strickland, C., Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5E
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STRUCTURE OF BACE BOUND TO SCH736062
分子名称:Beta-secretase 1, D(-)-TARTARIC ACID, (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one
著者Strickland, C., Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5F
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STRUCTURE OF BACE BOUND TO SCH736201
分子名称:Beta-secretase 1, D(-)-TARTARIC ACID, (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
著者Strickland, C., Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
4DJU
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STRUCTURE OF BACE BOUND TO 2-IMINO-3-METHYL-5,5-DIPHENYLIMIDAZOLIDIN-4-ONE
分子名称:Beta-secretase 1, (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, L(+)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJV
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STRUCTURE OF BACE BOUND TO 2-IMINO-5-(3'-METHOXY-[1,1'-BIPHENYL]-3-YL)-3-METHYL-5-PHENYLIMIDAZOLIDIN-4-ONE
分子名称:Beta-secretase 1, (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one, L(+)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJW
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STRUCTURE OF BACE BOUND TO 2-IMINO-3-METHYL-5-PHENYL-5-(3-(PYRIDIN-3-YL)PHENYL)IMIDAZOLIDIN-4-ONE
分子名称:Beta-secretase 1, (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, L(+)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJX
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STRUCTURE OF BACE BOUND TO 5-(3-(5-CHLOROPYRIDIN-3-YL)PHENYL)-5-CYCLOPROPYL-2-IMINO-3-METHYLIMIDAZOLIDIN-4-ONE
分子名称:Beta-secretase 1, (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, L(+)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJY
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STRUCTURE OF BACE BOUND TO (R)-5-CYCLOPROPYL-2-IMINO-3-METHYL-5-(3-(5-(PROP-1-YN-1-YL)PYRIDIN-3-YL)PHENYL)IMIDAZOLIDIN-4-ONE
分子名称:Beta-secretase 1, (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one, L(+)-TARTARIC ACID
著者Strickland, C., Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012