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PDB: 19 件
7D5B
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BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ...
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-25
公開日2021-03-31
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7N4N
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BACE-2 in complex with ligand 36
分子名称: 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ...
著者Shaffer, P.L.
登録日2021-06-04
公開日2021-10-06
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
J.Med.Chem., 64, 2021
7F1G
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BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
分子名称: Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE
著者Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2021-06-09
公開日2022-02-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
3ZKQ
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BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-24
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
6JSZ
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BACE2 xaperone complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 2, CHLORIDE ION, N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide, ...
著者Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I.
登録日2019-04-08
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
4BEL
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BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-03-11
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKM
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BACE2 FAB COMPLEX
分子名称: BETA-SECRETASE 2, DIMETHYL SULFOXIDE, FAB HEAVY CHAIN, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKG
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BACE2 MUTANT APO STRUCTURE
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKN
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BACE2 FAB INHIBITOR COMPLEX
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
7D5U
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BACE2 xaperone complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 2, N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, xaperone
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-28
公開日2021-03-31
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
3ZLQ
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BACE2 XAPERONE COMPLEX
分子名称: 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, BETA-SECRETASE 2, XA4813
著者Kuglstatter, A, Stihle, M.
登録日2013-02-04
公開日2013-05-01
最終更新日2013-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
3ZKS
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BACE2 XAPERONE COMPLEX WITH INHIBITOR
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, XA4813
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-24
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
6UJ0
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Unbound BACE2 mutant structure
分子名称: Beta-secretase 2, unidentified polypeptide
著者Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
登録日2019-10-01
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
4BFB
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BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, XA4813
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-03-18
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKX
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TERNARY BACE2 XAPERONE COMPLEX
分子名称: BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A.
登録日2013-01-25
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKI
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BACE2 MUTANT STRUCTURE WITH LIGAND
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
6UJ1
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BACE2 mutant in complex with a macrocyclic compound
分子名称: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2
著者Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
登録日2019-10-02
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
2EWY
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Crystal structure of human BACE2 in complex with a hydroxyethylenamine transition-state inhibitor
分子名称: Beta-secretase 2, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
著者Ostermann, N.
登録日2005-11-07
公開日2006-11-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human BACE2 in complex with a hydroxyethylamine transition state inhibitor
J.Mol.Biol., 355, 2006
3ZL7
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BACE2 FYNOMER COMPLEX
分子名称: BETA-SECRETASE 2, FYNOMER 2B-H11
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-28
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013

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