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PDB: 77 件
6JSF
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Crystal Structure of BACE1 in complex with N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
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 (2.3 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
6JSG
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Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
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 (2.3 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
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
6JSE
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Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
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 (2 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
6JSN
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BU of 6jsn by Molmil
Crystal Structure of BACE1 in 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 1, GLYCEROL, IODIDE ION, ...
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 (2.6 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
2Z0A
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Crystal structure of RNA-binding domain of NS1 from influenza A virus A/crow/Kyoto/T1/2004(H5N1)
分子名称: GLYCINE, Nonstructural protein 1, SUCCINIC ACID
著者Saijo, S, Kishishita, S, Kamo-Uchikubo, T, Terada, T, Shirouzu, M, Ito, H, Ito, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-07
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of RNA-binding domain of NS1 from influenza A virus A/crow/Kyoto/T1/2004(H5N1)
To be Published
2Z16
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Crystal structure of Matrix protein 1 from influenza A virus A/crow/Kyoto/T1/2004(H5N1)
分子名称: Matrix protein 1
著者Saijo, S, Kishishita, S, Uchikubo-Kamo, T, Terada, T, Shirouzu, M, Ito, H, Ito, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-08
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of Matrix protein 1 from influenza A virus A/crow/Kyoto/T1/2004(H5N1)
To be Published
3WVR
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BU of 3wvr by Molmil
Structure of ATP grasp protein with AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, PGM1, ...
著者Matsui, T, Noike, M, Ooya, K, Sasaki, I, Hamano, Y, Maruyama, C, Ishikawa, J, Satoh, Y, Ito, H, Dairi, T, Morita, H.
登録日2014-06-04
公開日2014-11-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.175 Å)
主引用文献A peptide ligase and the ribosome cooperate to synthesize the peptide pheganomycin.
Nat.Chem.Biol., 11, 2015
3WVQ
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BU of 3wvq by Molmil
Structure of ATP grasp protein
分子名称: GLYCEROL, PGM1, SULFATE ION
著者Matsui, T, Noike, M, Ooya, K, Sasaki, I, Hamano, Y, Maruyama, C, Ishikawa, J, Satoh, Y, Ito, H, Dairi, T, Morita, H.
登録日2014-06-04
公開日2014-11-19
最終更新日2014-12-31
実験手法X-RAY DIFFRACTION (1.955 Å)
主引用文献A peptide ligase and the ribosome cooperate to synthesize the peptide pheganomycin.
Nat.Chem.Biol., 11, 2015
7D36
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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
7DCZ
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BU of 7dcz by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G.
登録日2020-10-27
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.
J.Med.Chem., 64, 2021
7D5A
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BU of 7d5a by Molmil
Crystal Structure of BACE1 in 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 1, GLYCEROL, IODIDE 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2023-11-29
実験手法X-RAY DIFFRACTION (2.2 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
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
7D2V
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BU of 7d2v by Molmil
Crystal Structure of BACE1 in 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: Beta-secretase 1, GLYCEROL, IODIDE 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2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 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
7D5B
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BU of 7d5b by Molmil
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
7D2X
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BU of 7d2x by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE 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2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 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
7Y5Y
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BU of 7y5y by Molmil
X-ray Structure of Stay-Green (SGR) from Anaerolineae bacterium.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ...
著者Dey, D, Nishijima, M, Kurisu, G, Tanaka, H, Ito, H.
登録日2022-06-18
公開日2022-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure and reaction mechanism of a bacterial Mg-dechelatase homolog from the Chloroflexi Anaerolineae.
Protein Sci., 31, 2022
5MHK
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BU of 5mhk by Molmil
ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter
分子名称: CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ...
著者Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P.
登録日2016-11-24
公開日2017-05-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
5MHJ
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BU of 5mhj by Molmil
ICP4 DNA-binding domain, lacking intrinsically disordered region, in complex with 12mer DNA duplex from its own promoter
分子名称: ACETIC ACID, CHLORIDE ION, DNA (5'-D(P*CP*GP*AP*TP*CP*GP*TP*CP*C)-3'), ...
著者Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P.
登録日2016-11-24
公開日2017-05-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
1WYW
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BU of 1wyw by Molmil
Crystal Structure of SUMO1-conjugated thymine DNA glycosylase
分子名称: CHLORIDE ION, G/T mismatch-specific thymine DNA glycosylase, MAGNESIUM ION, ...
著者Baba, D, Maita, N, Jee, J.G, Uchimura, Y, Saitoh, H, Sugasawa, K, Hanaoka, F, Tochio, H, Hiroaki, H, Shirakawa, M.
登録日2005-02-17
公開日2005-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of thymine DNA glycosylase conjugated to SUMO-1.
Nature, 435, 2005
1UF2
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BU of 1uf2 by Molmil
The Atomic Structure of Rice dwarf Virus (RDV)
分子名称: Core protein P3, Outer capsid protein P8, Structural protein P7
著者Nakagawa, A, Miyazaki, N, Taka, J, Naitow, H, Ogawa, A, Fujimoto, Z, Mizuno, H, Higashi, T, Watanabe, Y, Omura, T, Cheng, R.H, Tsukihara, T.
登録日2003-05-23
公開日2003-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The atomic structure of rice dwarf virus reveals the self-assembly mechanism of component proteins.
Structure, 11, 2003
5WR2
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Thermolysin, SFX liganded form with oil-based carrier
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
5WR4
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Thermolysin, SFX unliganded form with oil-based carrier
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
5WR5
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Thermolysin, liganded form with cryo condition 1
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, TETRAETHYLENE GLYCOL, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
5WR6
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Thermolysin, liganded form with cryo condition 2
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017

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