2OHK
 
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2OHU
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2OHP
 | | X-ray crystal structure of beta secretase complexed with compound 3 | | 分子名称: | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Patel, S. | | 登録日 | 2007-01-10 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
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2OHM
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2OHS
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7BKW
 | | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound
To Be Published
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7BKY
 | | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
To Be Published
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7BKR
 | | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
To Be Published
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7BKV
 | | Endothiapepsin structure obtained at 100K with fragment AC39729 bound | | 分子名称: | 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment AC39729 bound
To Be Published
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7BKS
 | | 100K endothiapepsin structure obtained in presence of 40 mM DMSO | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | 100K endothiapepsin structure obtained in presence of 40 mM DMSO
To Be Published
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7BKU
 | | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | | 分子名称: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
To Be Published
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7BKZ
 | | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
To Be Published
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1LYB
 | | CRYSTAL STRUCTURES OF NATIVE AND INHIBITED FORMS OF HUMAN CATHEPSIN D: IMPLICATIONS FOR LYSOSOMAL TARGETING AND DRUG DESIGN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATHEPSIN D, PEPSTATIN, ... | | 著者 | Baldwin, E.T, Bhat, T.N, Gulnik, S, Erickson, J.W. | | 登録日 | 1993-04-22 | | 公開日 | 1994-01-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design.
Proc.Natl.Acad.Sci.USA, 90, 1993
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1UH7
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1UH9
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1UH8
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1LYW
 | | CATHEPSIN D AT PH 7.5 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CATHEPSIN D | | 著者 | Lee, A.Y, Gulnik, S.V, Erickson, J.W. | | 登録日 | 1998-06-30 | | 公開日 | 1999-07-22 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Conformational switching in an aspartic proteinase.
Nat.Struct.Biol., 5, 1998
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1MPP
 | | X-RAY ANALYSES OF ASPARTIC PROTEINASES. V. STRUCTURE AND REFINEMENT AT 2.0 ANGSTROMS RESOLUTION OF THE ASPARTIC PROTEINASE FROM MUCOR PUSILLUS | | 分子名称: | PEPSIN, SULFATE ION | | 著者 | Newman, M, Watson, F, Roychowdhury, P, Jones, H, Badasso, M, Cleasby, A, Wood, S.P, Tickle, I.J, Blundell, T.L. | | 登録日 | 1992-02-19 | | 公開日 | 1993-10-31 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-ray analyses of aspartic proteinases. V. Structure and refinement at 2.0 A resolution of the aspartic proteinase from Mucor pusillus.
J.Mol.Biol., 230, 1993
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1ME6
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II, AN ASPARTYL PROTEASE FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH A STATINE-BASED INHIBITOR | | 分子名称: | 3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER, Plasmepsin II | | 著者 | Freire, E, Nezami, A.G, Amzel, L.M. | | 登録日 | 2002-08-08 | | 公開日 | 2004-01-20 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF PLASMEPSIN II, AN ASPARTYL PROTEASE FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH A STATINE-BASED INHIBITOR
TO BE PUBLISHED
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1LS5
 | | Crystal structure of plasmepsin IV from P. falciparum in complex with pepstatin A | | 分子名称: | Pepstatin, plasmepsin IV | | 著者 | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | 登録日 | 2002-05-16 | | 公開日 | 2002-06-12 | | 最終更新日 | 2013-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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7D36
 | | Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I. | | 登録日 | 2020-09-18 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction.
Eur.J.Med.Chem., 216, 2021
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1LF4
 | | STRUCTURE OF PLASMEPSIN II | | 分子名称: | Plasmepsin 2 | | 著者 | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | 登録日 | 2002-04-10 | | 公開日 | 2002-10-10 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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1WKR
 | | Crystal structure of aspartic proteinase from Irpex lacteus | | 分子名称: | Polyporopepsin, SULFATE ION, pepstatin | | 著者 | Fujimoto, Z, Fujii, Y, Kaneko, S, Kobayashi, H, Mizuno, H. | | 登録日 | 2004-06-02 | | 公開日 | 2004-09-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal Structure of Aspartic Proteinase from Irpex lacteus in Complex with Inhibitor Pepstatin
J.Mol.Biol., 341, 2004
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1LF3
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR EH58 | | 分子名称: | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE, plasmepsin 2 | | 著者 | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | 登録日 | 2002-04-10 | | 公開日 | 2002-10-10 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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1LEE
 | | CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367 | | 分子名称: | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | 著者 | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | 登録日 | 2002-04-09 | | 公開日 | 2002-10-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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