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2OHK
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X-ray crystal structure of beta secretase complexed with 1-amino-isoquinoline
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHU
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BU of 2ohu by Molmil
X-ray crystal structure of beta secretase complexed with compound 8b
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 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
2OHP
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BU of 2ohp by Molmil
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
2OHM
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BU of 2ohm by Molmil
X-ray crystal structure of beta secretase complexed with N~3~-benzylpyridine-2,3-diamine
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHS
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BU of 2ohs by Molmil
X-ray crystal structure of beta secretase complexed with compound 6b
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 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
7BKW
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BU of 7bkw by Molmil
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
7BKY
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BU of 7bky by Molmil
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
7BKR
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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
7BKV
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BU of 7bkv by Molmil
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
7BKS
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BU of 7bks by Molmil
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
7BKU
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BU of 7bku by Molmil
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
7BKZ
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BU of 7bkz by Molmil
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
1LYB
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BU of 1lyb by Molmil
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
1UH7
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BU of 1uh7 by Molmil
Crystal structure of rhizopuspepsin at pH 4.6
分子名称: hizopuspepsin I
著者Prasad, B.V.L.S, Suguna, K.
登録日2003-06-26
公開日2004-06-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Effect of pH on the structure of rhizopuspepsin.
Acta Crystallogr.,Sect.D, 59, 2003
1UH9
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BU of 1uh9 by Molmil
Crystal structure of rhizopuspepsin at pH 7.0
分子名称: hizopuspepsin I
著者Prasad, B.V.L.S, Suguna, K.
登録日2003-06-26
公開日2004-06-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effect of pH on the structure of rhizopuspepsin.
Acta Crystallogr.,Sect.D, 59, 2003
1UH8
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BU of 1uh8 by Molmil
Crystal structure of rhizopuspepsin at pH 8.0
分子名称: hizopuspepsin I
著者Prasad, B.V.L.S, Suguna, K.
登録日2003-06-26
公開日2004-06-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Effect of pH on the structure of rhizopuspepsin.
Acta Crystallogr.,Sect.D, 59, 2003
1LYW
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BU of 1lyw by Molmil
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
1MPP
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BU of 1mpp by Molmil
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
1ME6
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BU of 1me6 by Molmil
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
1LS5
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BU of 1ls5 by Molmil
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
7D36
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BU of 7d36 by Molmil
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
1LF4
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BU of 1lf4 by Molmil
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
1WKR
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BU of 1wkr by Molmil
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
1LF3
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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
1LEE
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BU of 1lee by Molmil
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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