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4CD7
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BU of 4cd7 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose, ...
著者Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
登録日2013-10-30
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD5
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BU of 4cd5 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm
分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
著者Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
登録日2013-10-30
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD4
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BU of 4cd4 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
著者Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
登録日2013-10-30
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD6
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BU of 4cd6 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose
著者Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
登録日2013-10-30
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
5T42
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BU of 5t42 by Molmil
Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity
分子名称: Envelope glycoprotein
著者Lee, J, Nyenhuis, D.A, Nelson, E.A, Cafiso, D.S, White, J.M, Tamm, L.K.
登録日2016-08-28
公開日2017-08-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8E17
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BU of 8e17 by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-09
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8DYR
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BU of 8dyr by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-04
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8E3W
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BU of 8e3w by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-17
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
4Z4B
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BU of 4z4b by Molmil
2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
分子名称: 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
著者Wee, J.-Y, Dobson, R.C.J, White, J.M.
登録日2015-04-01
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9652 Å)
主引用文献2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
To Be Published
4CD8
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BU of 4cd8 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm
分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose
著者Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
登録日2013-10-30
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
1DIR
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BU of 1dir by Molmil
CRYSTAL STRUCTURE OF A MONOCLINIC FORM OF DIHYDROPTERIDINE REDUCTASE FROM RAT LIVER
分子名称: DIHYDROPTERIDINE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Varughese, K.I, Su, Y, Skinner, M.M, Matthews, D.A, Whitely, J.M, Xuong, N.H.
登録日1994-04-18
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a monoclinic form of dihydropteridine reductase from rat liver.
Acta Crystallogr.,Sect.D, 50, 1994
2DCI
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BU of 2dci by Molmil
NMR structure of influenza HA fusion peptide mutant W14A in DPC in pH5
分子名称: Hemagglutinin
著者Tamm, L.K, Lai, A.L.
登録日2006-01-07
公開日2006-01-24
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Fusion peptide of influenza hemagglutinin requires a fixed angle boomerang structure for activity
J.Biol.Chem., 281, 2006
8EUS
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BU of 8eus by Molmil
Crystal structure of NPC1 luminal domain C
分子名称: NPC intracellular cholesterol transporter 1
著者Odongo, L, Pornillos, O.
登録日2022-10-19
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Purification and structure of luminal domain C of human Niemann-Pick C1 protein.
Acta Crystallogr.,Sect.F, 79, 2023
2LCZ
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BU of 2lcz by Molmil
NMR Structure of the Complete Internal Fusion Loop from Ebolavirus GP2 at pH 7.0
分子名称: Virion spike glycoprotein
著者Gregory, S.M, Harada, E, Liang, B, Tamm, L.K.
登録日2011-05-12
公開日2011-06-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure and function of the complete internal fusion loop from Ebolavirus glycoprotein 2.
Proc.Natl.Acad.Sci.USA, 108, 2011
2LCY
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BU of 2lcy by Molmil
NMR Structure of the Complete Internal Fusion Loop from Ebolavirus GP2 at pH 5.5
分子名称: Virion spike glycoprotein
著者Gregory, S.M, Harada, E, Liang, B, Tamm, L.K.
登録日2011-05-12
公開日2011-06-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure and function of the complete internal fusion loop from Ebolavirus glycoprotein 2.
Proc.Natl.Acad.Sci.USA, 108, 2011
2MB1
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BU of 2mb1 by Molmil
NMR Structure of the Complete Internal Fusion Loop mutant I544A from Ebolavirus GP2 at pH 5.5
分子名称: Virion spike glycoprotein
著者Tamm, L.K, Gregory, S.M.
登録日2013-07-22
公開日2014-04-09
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Ebolavirus Entry Requires a Compact Hydrophobic Fist at the Tip of the Fusion Loop.
J.Virol., 88, 2014
2M5F
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BU of 2m5f by Molmil
NMR Structure of the Complete Internal Fusion Loop mutant L529A/I544A from Ebolavirus GP2 at pH 5.5
分子名称: Virion spike glycoprotein
著者Gregory, S.M, Tamm, L.K.
登録日2013-02-22
公開日2014-02-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Ebolavirus Entry Requires a Compact Hydrophobic Fist at the Tip of the Fusion Loop.
J.Virol., 88, 2014
1QV4
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BU of 1qv4 by Molmil
B-DNA Dodecamer CGTGAATTCACG complexed with minor groove binder methylproamine
分子名称: 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
著者Squire, C.J, Clark, G.R.
登録日2003-08-26
公開日2004-09-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
1QV8
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BU of 1qv8 by Molmil
B-DNA Dodecamer d(CGCGAATTCGCG)2 complexed with proamine
分子名称: 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
著者Squire, C.J, Clark, G.R.
登録日2003-08-27
公開日2004-09-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
1HTM
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BU of 1htm by Molmil
STRUCTURE OF INFLUENZA HAEMAGGLUTININ AT THE PH OF MEMBRANE FUSION
分子名称: HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN
著者Bullough, P.A, Hughson, F.M, Skehel, J.J, Wiley, D.C.
登録日1994-11-02
公開日1995-02-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of influenza haemagglutinin at the pH of membrane fusion.
Nature, 371, 1994

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