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6BSH
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BU of 6bsh by Molmil
Structure of HIV-1 RT complexed with RNA/DNA hybrid in the RNA hydrolysis mode
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*AP*TP*GP*CP*CP*AP*CP*TP*AP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ...
著者Tian, L, Kim, M, Yang, W.
登録日2017-12-03
公開日2018-01-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BSG
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BU of 6bsg by Molmil
Structure of HIV-1 RT complexed with RNA/DNA hybrid in an RNA hydrolysis-off mode
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Tian, L, Kim, M, Yang, W.
登録日2017-12-03
公開日2018-01-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7BVV
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BU of 7bvv by Molmil
Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2
分子名称: Peroxiredoxin AHP1, Thioredoxin-2
著者Lian, F.M, Jiang, Y.L, Yang, W, Yang, X.
登録日2020-04-11
公開日2020-07-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2 mimics a conformational intermediate during the catalytic cycle.
Int.J.Biol.Macromol., 161, 2020
7WGR
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BU of 7wgr by Molmil
Cryo-electron microscopic structure of the 2-oxoglutarate dehydrogenase (E1) component of the human alpha-ketoglutarate (2-oxoglutarate) dehydrogenase complex
分子名称: 2-oxoglutarate dehydrogenase, mitochondrial, CALCIUM ION, ...
著者Yu, X, Yang, W, Zhong, Y.H, Ma, X.M, Gao, Y.Z.
登録日2021-12-28
公開日2022-06-01
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structural basis for the activity and regulation of human alpha-ketoglutarate dehydrogenase revealed by Cryo-EM
Biochem.Biophys.Res.Commun., 602, 2022
7VI6
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BU of 7vi6 by Molmil
Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila
分子名称: Beta-N-acetylhexosaminidase, CHLORIDE ION, MAGNESIUM ION
著者Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
登録日2021-09-26
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
7VI7
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BU of 7vi7 by Molmil
Crystal structure of GH3 beta-N-acetylhexosaminidase Amuc_2109 from Akkermansia muciniphila in complex with GlcNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Qian, K, Yang, W, Chen, X, Wang, Y, Zhang, M, Wang, M.
登録日2021-09-26
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
Biochem.Biophys.Res.Commun., 589, 2022
3X0E
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BU of 3x0e by Molmil
Crystal structure of the ectodomain of human CD81 large extracellular loop (hCD81-LEL)
分子名称: CD81 antigen, MAGNESIUM ION
著者Zhang, M, Cui, S.
登録日2014-10-14
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
3X0G
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BU of 3x0g by Molmil
Crystal structure of the ectodomain of African green monkey CD81 large extracellular loop (agmCD81-LEL)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CD81
著者Zhang, M, Cui, S.
登録日2014-10-14
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2020-03-12
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
2ZJK
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BU of 2zjk by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1
著者Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJL
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BU of 2zjl by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJJ
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BU of 2zjj by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJM
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BU of 2zjm by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
著者Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJI
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BU of 2zji by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
著者Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
8T6H
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BU of 8t6h by Molmil
X-ray crystal structure of PfA-M1(E319A)
分子名称: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
著者Webb, C.T, McGowan, S.
登録日2023-06-16
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
分子名称: T-cell-specific surface glycoprotein CD28
著者Li, H, Xu, C, Pan, W.
登録日2015-12-23
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
6LOM
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BU of 6lom by Molmil
Structure of CLHM1 from Caenorhabditis Elegans
分子名称: Calcium homeostasis modulator protein
著者Yang, W.X, Wang, Y.W, Zhang, X.C.
登録日2020-01-06
公開日2020-07-29
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-electron microscopy structure of CLHM1 ion channel from Caenorhabditis elegans.
Protein Sci., 29, 2020
3X0F
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BU of 3x0f by Molmil
Crystal structure of the ectodomain of mouse CD81 large extracellular loop (mCD81-LEL)
分子名称: CD81 antigen, ISOPROPYL ALCOHOL
著者Zhang, M, Cui, S.
登録日2014-10-14
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
7DT1
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BU of 7dt1 by Molmil
The structure of Lactobacillus fermentum 4,6-alpha-Glucanotransferase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Yang, W.K, Yong, Y.H, Wu, L, Chen, S, Zhou, J.H, Wu, J.
登録日2021-01-04
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43002272 Å)
主引用文献Characterization of a new 4,6-alpha-glucanotransferase from Limosilactobacillus fermentum NCC 3057 with ability of synthesizing low molecular mass isomalto-/maltopolysaccharide
Food Biosci, 46, 2022
7B7V
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BU of 7b7v by Molmil
Structure of NUDT15 in complex with Acyclovir monophosphate
分子名称: 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate, CHLORIDE ION, MAGNESIUM ION, ...
著者Rehling, D, Stenmark, P.
登録日2020-12-11
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献NUDT15 polymorphism influences the metabolism and therapeutic effects of acyclovir and ganciclovir.
Nat Commun, 12, 2021
6S8N
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BU of 6s8n by Molmil
Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide
分子名称: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8H
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BU of 6s8h by Molmil
Cryo-EM structure of LptB2FG in complex with LPS
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8G
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BU of 6s8g by Molmil
Cryo-EM structure of LptB2FGC in complex with AMP-PNP
分子名称: Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019

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