3K5D
 
 | | Crystal Structure of BACE-1 in complex with AHM178 | | 分子名称: | Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3K5G
 | | Human bace-1 complex with bjc060 | | 分子名称: | (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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1DLA
 | | NOVEL NADPH-BINDING DOMAIN REVEALED BY THE CRYSTAL STRUCTURE OF ALDOSE REDUCTASE | | 分子名称: | ALDOSE REDUCTASE | | 著者 | Rondeau, J.-M, Tete-Favier, F, Podjarny, A, Reymann, J.-M, Barth, P, Biellmann, J.-F, Moras, D. | | 登録日 | 1993-02-08 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Novel NADPH-binding domain revealed by the crystal structure of aldose reductase.
Nature, 355, 1992
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3K5C
 | | Human BACE-1 complex with NB-216 | | 分子名称: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-03-02 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
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3K5F
 | | Human BACE-1 COMPLEX WITH AYH011 | | 分子名称: | (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5NGV
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5NHR
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1AWB
 | | HUMAN MYO-INOSITOL MONOPHOSPHATASE IN COMPLEX WITH D-INOSITOL-1-PHOSPHATE AND CALCIUM | | 分子名称: | CALCIUM ION, CHLORIDE ION, D-MYO-INOSITOL-1-PHOSPHATE, ... | | 著者 | Rondeau, J.-M, Pelton, P.D, Vincendon, P, Ganzhorn, A.J. | | 登録日 | 1997-10-01 | | 公開日 | 1998-01-14 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of an Enzyme-Substrate Complex and the Catalytic Mechanism of Human Brain Myo-Inositol Monophosphatase
Protein Eng., 10, 1997
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2F3F
 | | Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor | | 分子名称: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2005-11-21 | | 公開日 | 2006-09-05 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
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2F3E
 | | Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor | | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | | 著者 | Rondeau, J.-M. | | 登録日 | 2005-11-21 | | 公開日 | 2006-09-05 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
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1XRY
 | | Crystal structure of Aeromonas proteolytica aminopeptidase in complex with bestatin | | 分子名称: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Bacterial leucyl aminopeptidase, ZINC ION | | 著者 | Gilboa, R, Rondeau, J.-M, Blumberg, S, Tarnus, C, Shoham, G. | | 登録日 | 2004-10-17 | | 公開日 | 2005-09-27 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Interactions of Streptomyces griseus Aminopeptidase and Aeromonas proteolytica Aminopeptidase with Bestatin. Structural analysis of homologous enzymes with different binding modes.
To be Published
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8C3U
 | | Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist | | 分子名称: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta | | 著者 | Rondeau, J.-M, Lehmann, S, Koch, E. | | 登録日 | 2022-12-28 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | | 主引用文献 | Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta.
Nat Commun, 14, 2023
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8RYS
 | | Human IL-1beta, unliganded | | 分子名称: | Interleukin-1 beta, SULFATE ION | | 著者 | Rondeau, J.-M, Lehmann, S. | | 登録日 | 2024-02-09 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8RZB
 | | IL-1beta in complex with covalent DEL hit | | 分子名称: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | | 著者 | Rondeau, J.-M, Lehmann, S. | | 登録日 | 2024-02-12 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8RYK
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3DV1
 | | Crystal structure of human beta-secretase in complex with NVP-ARV999 | | 分子名称: | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, 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 (2.1 Å) | | 主引用文献 | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
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6EQM
 | | Crystal Structure of Human BACE-1 in Complex with CNP520 | | 分子名称: | Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Rondeau, J.-M, Wirth, E. | | 登録日 | 2017-10-13 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.
EMBO Mol Med, 10, 2018
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6FGY
 | | Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4 | | 分子名称: | Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | | 著者 | Rondeau, J.-M, Bourgier, E. | | 登録日 | 2018-01-11 | | 公開日 | 2018-06-06 | | 最終更新日 | 2018-06-20 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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3DV5
 | | Crystal structure of human beta-secretase in complex with NVP-BAV544 | | 分子名称: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, 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 (2.1 Å) | | 主引用文献 | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
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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6RA4
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5N9B
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5NAN
 | | Crystal Structure of human IL-17AF in complex with human IL-17RA | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | 著者 | Rondeau, J.-M, Goepfert, A. | | 登録日 | 2017-02-28 | | 公開日 | 2017-09-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
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5NHW
 | | CRYSTAL STRUCTURE OF THE BIMAGRUMAB Fab | | 分子名称: | GLYCEROL, anti-human ActRII Bimagrumab Fab heavy-chain, anti-human ActRII Bimagrumab Fab light-chain | | 著者 | Rondeau, J.-M. | | 登録日 | 2017-03-22 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N92
 | | Crystal Structure of Human IL-17AF | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17A, Interleukin-17F | | 著者 | Rondeau, J.-M, Goepfert, A. | | 登録日 | 2017-02-24 | | 公開日 | 2017-09-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
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