5J25
 
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5ISJ
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3FKT
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5HD0
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5HDU
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5HDX
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5HE4
 | | BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | | 分子名称: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Orth, P. | | 登録日 | 2016-01-05 | | 公開日 | 2016-03-16 | | 最終更新日 | 2016-04-27 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
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3FV3
 | | Secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A | | 分子名称: | GLYCEROL, SULFATE ION, Sapp1p-secreted aspartic protease 1, ... | | 著者 | Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Sieglova, I, Pichova, I, Rezacova, P. | | 登録日 | 2009-01-15 | | 公開日 | 2009-05-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The crystal structure of the secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A
J.Struct.Biol., 167, 2009
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3G6Z
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | 分子名称: | (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | 登録日 | 2009-02-09 | | 公開日 | 2009-06-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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3D91
 | | Human renin in complex with remikiren | | 分子名称: | DIMETHYL SULFOXIDE, Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide, Renin | | 著者 | Prade, L, Bezencon, O, Bur, D, Weller, T, Fischli, W, Remen, L. | | 登録日 | 2008-05-26 | | 公開日 | 2008-06-17 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Human renin in complex with remikiren
to be published
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5JOD
 | | Structure of proplasmepsin IV from Plasmodium falciparum | | 分子名称: | GLYCEROL, Proplasmepsin IV | | 著者 | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | | 登録日 | 2016-05-02 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.528 Å) | | 主引用文献 | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr.,Sect.F, 72, 2016
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3G72
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | 分子名称: | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | 登録日 | 2009-02-09 | | 公開日 | 2009-06-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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3G70
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | 分子名称: | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | 登録日 | 2009-02-09 | | 公開日 | 2009-06-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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3EXO
 | | Crystal structure of BACE1 bound to inhibitor | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide, ... | | 著者 | Allison, T.J. | | 登録日 | 2008-10-16 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement.
Bioorg.Med.Chem.Lett., 19, 2009
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3DUY
 | | Crystal structure of human beta-secretase in complex with NVP-AFJ144 | | 分子名称: | (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2008-07-18 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3GW5
 | | Crystal structure of human renin complexed with a novel inhibitor | | 分子名称: | (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wu, Z, McKeever, B.M. | | 登録日 | 2009-03-31 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.
Bioorg.Med.Chem.Lett., 19, 2009
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3CIC
 | | Structure of BACE Bound to SCH709583 | | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, 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 | | 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
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3ER3
 | | The active site of aspartic proteinases | | 分子名称: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | | 著者 | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L. | | 登録日 | 1991-01-02 | | 公開日 | 1991-04-15 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
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3H0B
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4OBZ
 | | Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide | | 分子名称: | 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | | 登録日 | 2014-01-08 | | 公開日 | 2014-08-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4PYV
 | | Crystal structure of renin in complex with compound4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Renin, ... | | 著者 | Ostermann, N, Zink, F. | | 登録日 | 2014-03-28 | | 公開日 | 2014-10-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
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4Q1N
 | | Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | | 分子名称: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. | | 登録日 | 2014-04-04 | | 公開日 | 2014-08-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
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4PZX
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | 分子名称: | (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A. | | 登録日 | 2014-03-31 | | 公開日 | 2014-05-14 | | 最終更新日 | 2014-10-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4R91
 | | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Orth, P, Caldwell, J.P, Strickland, C. | | 登録日 | 2014-09-03 | | 公開日 | 2014-11-05 | | 最終更新日 | 2014-12-17 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4RCD
 | | Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor | | 分子名称: | (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Whittington, D.A, Long, A.M. | | 登録日 | 2014-09-15 | | 公開日 | 2015-01-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718).
J.Med.Chem., 57, 2014
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