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5GSE
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BU of 5gse by Molmil
Crystal structure of unusual nucleosome
分子名称: DNA (250-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Kato, D, Osakabe, A, Arimura, Y, Park, S.Y, Kurumizaka, H.
登録日2016-08-16
公開日2017-05-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of the overlapping dinucleosome composed of hexasome and octasome
Science, 356, 2017
6K4C
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BU of 6k4c by Molmil
Ancestral luciferase AncLamp in complex with DLSA
分子名称: 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Ancestral luciferase AncLamp, MAGNESIUM ION
著者Oba, Y, Konishi, K, Yano, D, Kato, D, Shirai, T.
登録日2019-05-23
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Resurrecting the ancient glow of the fireflies.
Sci Adv, 6, 2020
3AXG
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BU of 3axg by Molmil
Structure of 6-aminohexanoate-oligomer hydrolase
分子名称: Endotype 6-aminohexanoat-oligomer hydrolase, SODIUM ION
著者Negoro, S, Shibata, N, Tanaka, Y, Yasuhira, K, Shibata, H, Hashimoto, H, Lee, Y.H, Ohshima, S, Santa, R, Mochiji, K, Goto, Y, Ikegami, T, Nagai, K, Kato, D, Takeo, M, Higuchi, Y.
登録日2011-04-04
公開日2011-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of nylon hydrolase and mechanism of nylon-6 hydrolysis
J.Biol.Chem., 287, 2012
5GTC
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BU of 5gtc by Molmil
Crystal structure of complex between DMAP-SH conjugated with a Kaposi's sarcoma herpesvirus LANA peptide (5-15) and nucleosome core particle
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Arimura, Y, Kato, D, Suto, H, Kurumizaka, H, Kawashima, S.A, Yamatsugu, K, Kanai, M.
登録日2016-08-19
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthetic Posttranslational Modifications: Chemical Catalyst-Driven Regioselective Histone Acylation of Native Chromatin.
J. Am. Chem. Soc., 139, 2017
6K4D
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BU of 6k4d by Molmil
Ancestral luciferase AncLamp in complex with ATP and D-luciferin
分子名称: (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, Ancestral luciferase AncLamp, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
著者Oba, Y, Konishi, K, Yano, D, Kato, D, Shirai, T.
登録日2019-05-23
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Resurrecting the ancient glow of the fireflies.
Sci Adv, 6, 2020
5B0Z
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BU of 5b0z by Molmil
The crystal structure of the nucleosome containing H3.2, at 1.98 A resolution
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Suzuki, Y, Horikoshi, N, Kato, D, Kurumizaka, H.
登録日2015-11-14
公開日2016-01-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献Crystal structure of the nucleosome containing histone H3 with crotonylated lysine 122
Biochem.Biophys.Res.Commun., 469, 2016
2ZLY
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BU of 2zly by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-10
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
2ZM9
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BU of 2zm9 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, A61V/S112A/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94) with Substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
2ZM7
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BU of 2zm7 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/G181D Mutant Complexed with 6-Aminohexanoate-dimer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
2ZM2
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BU of 2zm2 by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, A61V/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
登録日2008-04-10
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
2ZM0
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BU of 2zm0 by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, G181D/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S.
登録日2008-04-10
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold.
Febs J., 276, 2009
2ZM8
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BU of 2zm8 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/D370Y Mutant Complexed with 6-Aminohexanoate-dimer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
6NZV
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BU of 6nzv by Molmil
Crystal structure of HCV NS3/4A protease in complex with compound 12
分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
2DCF
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BU of 2dcf by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2006-01-06
公開日2007-01-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
J.Mol.Biol., 370, 2007
3A65
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BU of 3a65 by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2009-08-21
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
3A66
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BU of 3a66 by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N/D370Y mutant with substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOATE-DIMER HYDROLASE, 6-AMINOHEXANOIC ACID, ...
著者Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2009-08-21
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis
To be Published
8U2E
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BU of 8u2e by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
分子名称: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Gajewski, S, Clifton, M.C.
登録日2023-09-05
公開日2024-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
分子名称: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Gajewski, S, Clifton, M.C.
登録日2023-09-05
公開日2024-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
分子名称: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
5B0Y
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BU of 5b0y by Molmil
Crystal structure of the nucleosome containing histone H3 with the crotonylated lysine 122
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Suzuki, Y, Horikoshi, N, Kurumizaka, H.
登録日2015-11-13
公開日2016-01-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.557 Å)
主引用文献Crystal structure of the nucleosome containing histone H3 with crotonylated lysine 122
Biochem.Biophys.Res.Commun., 469, 2016
2E8I
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BU of 2e8i by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, D1 mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Shibata, N, Higuchi, Y, Negoro, S.
登録日2007-01-20
公開日2008-01-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold.
Febs J., 276, 2009
1WYC
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BU of 1wyc by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, DN mutant
分子名称: 6-aminohexanoate-dimer hydrolase
著者Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y.
登録日2005-02-09
公開日2006-02-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
J.Mol.Biol., 370, 2007
2ZMA
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BU of 2zma by Molmil
Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
登録日2008-04-14
公開日2009-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
3A2Q
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BU of 3a2q by Molmil
Structure of 6-aminohexanoate cyclic dimer hydrolase complexed with substrate
分子名称: 6-AMINOHEXANOIC ACID, 6-aminohexanoate-cyclic-dimer hydrolase, GLYCEROL
著者Shibata, N.
登録日2009-05-26
公開日2009-11-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystallographic analysis of the 6-aminohexanoate cyclic dimer hydrolase: catalytic mechanism and evolution of an enzyme responsible for nylon-6 byproduct degradation
J.Biol.Chem., 285, 2010
3A2P
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BU of 3a2p by Molmil
Structure of 6-aminohexanoate cyclic dimer hydrolase
分子名称: 6-aminohexanoate-cyclic-dimer hydrolase, GLYCEROL
著者Shibata, N.
登録日2009-05-26
公開日2009-11-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystallographic analysis of the 6-aminohexanoate cyclic dimer hydrolase: catalytic mechanism and evolution of an enzyme responsible for nylon-6 byproduct degradation
J.Biol.Chem., 285, 2010

 

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