Author results

2G33
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HUMAN HEPATITIS B VIRUS T=4 CAPSID, STRAIN ADYW
Descriptor:Core antigen
Authors:Bourne, C.R., Zlotnick, A.
Deposit date:2006-02-17
Release date:2006-11-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Global Structural Changes in Hepatitis B Virus Capsids Induced by the Assembly Effector HAP1.
J.Virol., 80, 2006
2G34
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HUMAN HEPATITIS B VIRUS T=4 CAPSID STRAIN ADYW COMPLEXED WITH ASSEMBLY EFFECTOR HAP1
Descriptor:Core antigen
Authors:Bourne, C.R., Zlotnick, A.
Deposit date:2006-02-17
Release date:2006-11-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (5.053 Å)
Cite:Global Structural Changes in Hepatitis B Virus Capsids Induced by the Assembly Effector HAP1.
J.Virol., 80, 2006
3OAY
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A NON-SELF SUGAR MIMIC OF THE HIV GLYCAN SHIELD SHOWS ENHANCED ANTIGENICITY
Descriptor:Fab 2G12, light chain, heavy chain, ...
Authors: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.
Deposit date:2010-08-05
Release date:2011-01-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OAZ
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A NON-SELF SUGAR MIMIC OF THE HIV GLYCAN SHIELD SHOWS ENHANCED ANTIGENICITY
Descriptor:Fab 2G12, heavy chain, light chain, ...
Authors: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.
Deposit date:2010-08-06
Release date:2011-01-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OB0
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A NON-SELF SUGAR MIMIC OF THE HIV GLYCAN SHIELD SHOWS ENHANCED ANTIGENICITY
Descriptor:Fab 2G12, light chain, heavy chain, ...
Authors: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.
Deposit date:2010-08-06
Release date:2011-01-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity.
Proc.Natl.Acad.Sci.USA, 107, 2010
4EJ8
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APO HIV PROTEASE (PR) DIMER IN CLOSED FORM WITH FRAGMENT 1F1 IN THE OUTSIDE/TOP OF FLAP
Descriptor:Protease, DIMETHYL SULFOXIDE, 1,2-ETHANEDIOL, ...
Authors:Tiefenbrunn, T., Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.347 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJD
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HIV PROTEASE (PR) DIMER IN CLOSED FORM WITH PEPSTATIN IN ACTIVE SITE AND FRAGMENT 1F1 IN THE OUTSIDE/TOP OF FLAP
Descriptor:Protease, pepstatin, BETA-MERCAPTOETHANOL, ...
Authors:Tiefenbrunn, T., Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.103 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJK
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HIV PROTEASE (PR) DIMER IN CLOSED FORM WITH PEPSTATIN IN ACTIVE SITE AND FRAGMENT 1F1-N IN THE OUTSIDE/TOP OF FLAP
Descriptor:Protease, pepstatin, INDOLYLPROPIONIC ACID
Authors:Tiefenbrunn, T., Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJL
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APO HIV PROTEASE (PR) DIMER IN CLOSED FORM WITH FRAGMENT 1F1-N IN THE OUTSIDE/TOP OF FLAP
Descriptor:Protease, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Tiefenbrunn, T., Stout, C.D.
Deposit date:2012-04-06
Release date:2013-05-01
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4G93
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CRYSTAL STRUCTURE OF THE HUMAN HEPATITIS B VIRUS T = 4 CAPSID, ADYW STRAIN, IN COMPLEX WITH THE PHENYLPROPENAMIDE ASSEMBLY ACCELERATOR AT-130
Descriptor:Capsid protein, N-[(1E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
Authors:Katen, S.P., Zlotnick, A.
Deposit date:2012-07-23
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Assembly-directed antivirals differentially bind quasiequivalent pockets to modify hepatitis B virus capsid tertiary and quaternary structure.
Structure, 21, 2013
4QAA
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X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-METHOXYPHENYL)-N4-OCTYLPYRIMIDINE-2,4-DIAMINE
Descriptor:Acetylcholine-binding protein, 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kaczanowska, K., Harel, M., Radic, Z., Changeux, J.-P., Finn, M.G., Taylor, P.
Deposit date:2014-05-03
Release date:2014-07-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
Descriptor:Acetylcholine-binding protein, 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kaczanowska, K., Harel, M., Radic, Z., Changeux, J.-P., Finn, M.G., Taylor, P.
Deposit date:2014-05-03
Release date:2014-07-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QAC
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X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-METHYLPIPERIDIN-1-YL)-6-(4-(TRIFLUOROMETHYL)PHENYL)PYRIMIDIN-2-AMINE
Descriptor:Acetylcholine-binding protein, PHOSPHATE ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kaczanowska, K., Harel, M., Radic, Z., Changeux, J.-P., Finn, M.G., Taylor, P.
Deposit date:2014-05-03
Release date:2014-07-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TVH
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HIV PROTEASE (PR) DIMER IN CLOSED FORM WITH TL-3 IN ACTIVE SITE AND FRAGMENT AK-2097 IN THE OUTSIDE/TOP OF FLAP
Descriptor:Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, BETA-MERCAPTOETHANOL, ...
Authors:Tiefenbrunn, T., Kislukhin, A., Finn, M.G., Stout, C.D.
Deposit date:2014-06-26
Release date:2014-09-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
4TVG
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HIV PROTEASE (PR) DIMER IN CLOSED FORM WITH PEPSTATIN IN ACTIVE SITE AND FRAGMENT AK-2097 IN THE OUTSIDE/TOP OF FLAP
Descriptor:HIV Protease, Pepstatin, 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, ...
Authors:Tiefenbrunn, T., Kislukhin, A., Finn, M.G., Stout, C.D.
Deposit date:2014-06-26
Release date:2014-09-24
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
5D7Y
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CRYSTAL STRUCTURE OF HEPATITIS B VIRUS T=4 CAPSID IN COMPLEX WITH THE ALLOSTERIC MODULATOR HAP18
Descriptor: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
Authors:Venkatakrishnan, B., Katen, S.P., Zlotnick, A.
Deposit date:2015-08-14
Release date:2016-02-17
Last modified:2016-04-13
Method:X-RAY DIFFRACTION (3.894 Å)
Cite:Hepatitis B Virus Capsids Have Diverse Structural Responses to Small-Molecule Ligands Bound to the Heteroaryldihydropyrimidine Pocket.
J.Virol., 90, 2016
5J5F
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X-RAY CRYSTAL STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH N4,N4-BIS[(PYRIDIN-2-YL)METHYL]-6-(THIOPHEN-3-YL)PYRIMIDINE-2,4-DIAMINE
Descriptor:Acetylcholine-binding protein, PHOSPHATE ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kaczanowska, K., Camacho Hernandez, G.A., Harel, M., Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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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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
Descriptor:Acetylcholine-binding protein, PHOSPHATE ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kaczanowska, K., Harel, M., Camacho Hernandez, A.G., Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.036 Å)
Cite: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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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
Descriptor:Acetylcholine-binding protein, 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Kaczanowska, K., Harel, M., Camacho Hernandez, A.G., Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
5J5I
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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
Descriptor:Acetylcholine-binding protein, N-ACETYL-D-GLUCOSAMINE, 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol, ...
Authors:Kaczanowska, K., Harel, M., Camacho Hernandez, G.A., Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
5JOP
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CRYSTAL STRUCTURE OF ANTI-GLYCAN ANTIBODY FAB14.22 IN COMPLEX WITH STREPTOCOCCUS PNEUMONIAE SEROTYPE 14 TETRASACCHARIDE AT 1.75 A
Descriptor:Fab 14.22 light chain, Fab14.22 heavy chain, BETA-D-GALACTOSE, ...
Authors:Sarkar, A., Irimia, A., Teyton, L., Wilson, I.A.
Deposit date:2016-05-02
Release date:2017-03-22
Last modified:2017-04-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
5JOR
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CRYSTAL STRUCTURE OF UNBOUND ANTI-GLYCAN ANTIBODY FAB14.22 AT 2.2 A
Descriptor:Fab14.22 heavy chain, Fab 14.22 light chain, GLYCEROL, ...
Authors:Sarkar, A., Irimia, A., Teyton, L., Wilson, I.A.
Deposit date:2016-05-02
Release date:2017-03-22
Last modified:2017-04-12
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
5JPV
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EFFICIENT TARGETING OF THE ASIALOGLYCOPROTEIN RECEPTOR BY POLYVALENT DISPLAY OF A COMPACT GALACTOSEAMINE MIMIC
Descriptor:Asialoglycoprotein receptor 1, ALPHA-LACTOSE, CALCIUM ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5JQ1
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EFFICIENT TARGETING OF THE ASIALOGLYCOPROTEIN RECEPTOR BY POLYVALENT DISPLAY OF A COMPACT GALACTOSAMINE MIMIC
Descriptor:Asialoglycoprotein receptor 1, CALCIUM ION, N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5TSF
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CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA COMPLEX WITH 2-AMINOPYRIMIDINE AT PH 7.0 SPACEGROUP P212121
Descriptor:Soluble acetylcholine receptor, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, N-ACETYL-D-GLUCOSAMINE
Authors:Camacho-Hernandez, G.A., Kaczanowska, K., Harel, M., Finn, M.G., Taylor, P.W.
Deposit date:2016-10-28
Release date:2017-10-25
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121
To Be Published
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