5DR1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dr1 by Molmil](/molmil-images/mine/5dr1) | |
5HE5
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5he5 by Molmil](/molmil-images/mine/5he5) | |
5DQ4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dq4 by Molmil](/molmil-images/mine/5dq4) | |
5DR0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dr0 by Molmil](/molmil-images/mine/5dr0) | |
5HDZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5hdz by Molmil](/molmil-images/mine/5hdz) | |
5ENM
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5enm by Molmil](/molmil-images/mine/5enm) | Compound 10 | 分子名称: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Lewis, H.A. | 登録日 | 2015-11-09 | 公開日 | 2016-10-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
|
|
5ER2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5er2 by Molmil](/molmil-images/mine/5er2) | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | 分子名称: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | 著者 | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, 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 (1.8 Å) | 主引用文献 | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme. EMBO J., 8, 1989
|
|
5ISJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5isj by Molmil](/molmil-images/mine/5isj) | |
5ENK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5enk by Molmil](/molmil-images/mine/5enk) | Compound 18 | 分子名称: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Lewis, H.A. | 登録日 | 2015-11-09 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
|
|
5DQ1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dq1 by Molmil](/molmil-images/mine/5dq1) | Endothiapepsin in complex with fragment 34 | 分子名称: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | 登録日 | 2015-09-14 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
|
|
5DQC
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dqc by Molmil](/molmil-images/mine/5dqc) | Co-crystal of BACE1 with compound 0211 | 分子名称: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | 著者 | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | 登録日 | 2015-09-14 | 公開日 | 2016-02-17 | 最終更新日 | 2016-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4651 Å) | 主引用文献 | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7, 2016
|
|
5DQ2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dq2 by Molmil](/molmil-images/mine/5dq2) | Endothiapepsin in complex with fragment 48 | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | 登録日 | 2015-09-14 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.514 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
|
|
5ISK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5isk by Molmil](/molmil-images/mine/5isk) | |
5DR8
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5dr8 by Molmil](/molmil-images/mine/5dr8) | Endothiapepsin in complex with fragment 330 | 分子名称: | 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ... | 著者 | Heine, A, Knoerlein, A, Schiebel, J, Klebe, G. | 登録日 | 2015-09-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
|
|
5HCO
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5hco by Molmil](/molmil-images/mine/5hco) | |
5HDX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5hdx by Molmil](/molmil-images/mine/5hdx) | |
5HE4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5he4 by Molmil](/molmil-images/mine/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
|
|
5BWY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5bwy by Molmil](/molmil-images/mine/5bwy) | Structure of proplasmepsin II from Plasmodium falciparum, Space Group P43212 | 分子名称: | Plasmepsin-2 | 著者 | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | 登録日 | 2015-06-08 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | 主引用文献 | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins. Acta Crystallogr F Struct Biol Commun, 72, 2016
|
|
5EZZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5ezz by Molmil](/molmil-images/mine/5ezz) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine | 分子名称: | (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2016-05-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
|
|
5F00
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5f00 by Molmil](/molmil-images/mine/5f00) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | 分子名称: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
|
|
5EZX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5ezx by Molmil](/molmil-images/mine/5ezx) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2016-05-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
|
|
5F01
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5f01 by Molmil](/molmil-images/mine/5f01) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | 分子名称: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
|
|
3EMY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3emy by Molmil](/molmil-images/mine/3emy) | Crystal structure of Trichoderma reesei aspartic proteinase complexed with pepstatin A | 分子名称: | Pepstatin, Trichoderma reesei Aspartic protease | 著者 | Nascimento, A.S, Krauchenco, S, Golubev, A.M, Gustchina, A, Wlodawer, A, Polikarpov, I. | 登録日 | 2008-09-25 | 公開日 | 2008-10-07 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Statistical coupling analysis of aspartic proteinases based on crystal
structures of the Trichoderma reesei enzyme and its complex with pepstatin A. J.Mol.Biol., 382, 2008
|
|
3ER5
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3er5 by Molmil](/molmil-images/mine/3er5) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | 分子名称: | ENDOTHIAPEPSIN, H-189 | 著者 | Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L. | 登録日 | 1991-01-05 | 公開日 | 1991-04-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin. Biochem.J., 289 ( Pt 2), 1993
|
|
3EXO
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3exo by Molmil](/molmil-images/mine/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
|
|