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6N4V
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BU of 6n4v by Molmil
CryoEM structure of Leviviridae PP7 WT coat protein dimer capsid (PP7PP7-WT)
分子名称: Coat protein
著者Liangjun, Z, Kopylov, M, Potter, C.S, Carragher, B, Finn, M.G.
登録日2018-11-20
公開日2019-04-03
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Engineering the PP7 Virus Capsid as a Peptide Display Platform.
Acs Nano, 13, 2019
8FEH
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BU of 8feh by Molmil
CryoEM structure of bacteriophage Q-beta coat protein dimer with AYGG linker
分子名称: Minor capsid protein A1 fusion
著者Newton, T.P, Zhao, L, Finn, M.G, Kopylov, M.
登録日2022-12-06
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献CryoEM structure of bacteriophage Q-beta coat protein dimer with AYGG linker
To Be Published
4QAC
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BU of 4qac by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
登録日2014-05-03
公開日2014-07-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QAA
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BU of 4qaa by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
登録日2014-05-03
公開日2014-07-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QAB
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BU of 4qab by Molmil
X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
登録日2014-05-03
公開日2014-07-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.984 Å)
主引用文献Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3OAZ
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BU of 3oaz by Molmil
A non-self sugar mimic of the HIV glycan shield shows enhanced antigenicity
分子名称: CHLORIDE ION, Fab 2G12, heavy chain, ...
著者Doores, K.J, Fulton, Z, Hong, V, Patel, M.K, Scanlan, C.N, Wormald, M.R, Finn, M.G, Burton, D.R, Wilson, I.A, Davis, B.G.
登録日2010-08-06
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OAY
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BU of 3oay by Molmil
A non-self sugar mimic of the HIV glycan shield shows enhanced antigenicity
分子名称: Fab 2G12, heavy chain, light chain, ...
著者Doores, K.J, Fulton, Z, Hong, V, Patel, M.K, Scanlan, C.N, Wormald, M.R, Finn, M.G, Burton, D.R, Wilson, I.A, Davis, B.G.
登録日2010-08-05
公開日2011-01-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OB0
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BU of 3ob0 by Molmil
A non-self sugar mimic of the HIV glycan shield shows enhanced antigenicity
分子名称: 7-deoxy-L-glycero-alpha-D-manno-heptopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose, Fab 2G12, heavy chain, ...
著者Doores, K.J, Fulton, Z, Hong, V, Patel, M.K, Scanlan, C.N, Wormald, M.R, Finn, M.G, Burton, D.R, Wilson, I.A, Davis, B.G.
登録日2010-08-06
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
5TVH
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BU of 5tvh by Molmil
Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 8.0 spacegroup P21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, DIMETHYL SULFOXIDE, ...
著者Camacho-Hernandez, G.A, Kaczanowska, K, Harel, M, Finn, M.G, Taylor, P.W.
登録日2016-11-08
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121
To Be Published
5TSF
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BU of 5tsf by Molmil
Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, Soluble acetylcholine receptor
著者Camacho-Hernandez, G.A, Kaczanowska, K, Harel, M, Finn, M.G, Taylor, P.W.
登録日2016-10-28
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.286 Å)
主引用文献Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121
To Be Published
5W5W
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BU of 5w5w by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
分子名称: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, HIV-1 protease, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2017-06-15
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
5VJ3
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BU of 5vj3 by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
分子名称: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, MAGNESIUM ION, Protease
著者Tiefenbrunn, T, Stout, C.D.
登録日2017-04-18
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
5D7Y
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BU of 5d7y by Molmil
Crystal structure of Hepatitis B virus T=4 capsid in complex with the allosteric modulator HAP18
分子名称: Capsid protein, methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
著者Venkatakrishnan, B, Katen, S.P, Zlotnick, A.
登録日2015-08-14
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.894 Å)
主引用文献Hepatitis B Virus Capsids Have Diverse Structural Responses to Small-Molecule Ligands Bound to the Heteroaryldihydropyrimidine Pocket.
J.Virol., 90, 2016
4TVH
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BU of 4tvh by Molmil
HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap
分子名称: 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
著者Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D.
登録日2014-06-26
公開日2014-09-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
2G33
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BU of 2g33 by Molmil
Human Hepatitis B Virus T=4 capsid, strain adyw
分子名称: Core antigen
著者Bourne, C.R, Zlotnick, A.
登録日2006-02-17
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.96 Å)
主引用文献Global Structural Changes in Hepatitis B Virus Capsids Induced by the Assembly Effector HAP1.
J.Virol., 80, 2006
2G34
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BU of 2g34 by Molmil
Human hepatitis B virus T=4 capsid strain adyw complexed with assembly effector HAP1
分子名称: Core antigen
著者Bourne, C.R, Zlotnick, A.
登録日2006-02-17
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (5.053 Å)
主引用文献Global Structural Changes in Hepatitis B Virus Capsids Induced by the Assembly Effector HAP1.
J.Virol., 80, 2006
4EJL
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BU of 4ejl by Molmil
Apo HIV Protease (PR) dimer in closed form with fragment 1F1-N in the outside/top of flap
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJ8
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BU of 4ej8 by Molmil
Apo HIV Protease (PR) dimer in closed form with fragment 1F1 in the outside/top of flap
分子名称: 1,2-ETHANEDIOL, 1H-indole-6-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJD
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BU of 4ejd by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1 in the outside/top of flap
分子名称: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (1.103 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJK
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BU of 4ejk by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1-N in the outside/top of flap
分子名称: INDOLYLPROPIONIC ACID, Protease, pepstatin
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4G93
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BU of 4g93 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN HEPATITIS B VIRUS T = 4 CAPSID, ADYW STRAIN, in COMPLEX WITH THE PHENYLPROPENAMIDE ASSEMBLY ACCELERATOR AT-130
分子名称: Capsid protein, N-[(1E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
著者Katen, S.P, Zlotnick, A.
登録日2012-07-23
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Assembly-directed antivirals differentially bind quasiequivalent pockets to modify hepatitis B virus capsid tertiary and quaternary structure.
Structure, 21, 2013
4TVG
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BU of 4tvg by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap
分子名称: 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, GLYCEROL, HIV Protease, ...
著者Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D.
登録日2014-06-26
公開日2014-09-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
5J5I
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BU of 5j5i by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Camacho Hernandez, G.A, Taylor, P.
登録日2016-04-02
公開日2017-03-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.326 Å)
主引用文献Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
5J5H
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BU of 5j5h by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P.
登録日2016-04-02
公開日2017-03-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
5J5G
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BU of 5j5g by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P.
登録日2016-04-02
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.036 Å)
主引用文献Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017

 

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