Author results

1LO0
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CATALYTIC RETRO-DIELS-ALDERASE TRANSITION STATE ANALOGUE COMPLEX
Descriptor:If kappa light chain, Ig gamma 2a heavy chain, 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID
Authors:Hugot, M., Reymond, J.L., Baumann, U.
Deposit date:2002-05-05
Release date:2002-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
1LO2
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RETRO-DIELS-ALDERASE CATALYTIC ANTIBODY
Descriptor:If kappa light chain, Ig gamma 2a heavy chain, [2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
Authors:Hugot, M., Reymond, J.L., Baumann, U.
Deposit date:2002-05-06
Release date:2002-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
1LO3
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RETRO-DIELS-ALDERASE CATALYTIC ANTIBODY: PRODUCT ANALOGUE
Descriptor:If kappa light chain, Ig gamma 2a heavy chain, 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID
Authors:Hugot, M., Reymond, J.L., Baumann, U.
Deposit date:2002-05-06
Release date:2002-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
1LO4
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RETRO-DIELS-ALDERASE CATALYTIC ANTIBODY 9D9
Descriptor:If kappa light chain, Ig gamma 2a heavy chain
Authors:Hugot, M., Reymond, J.L., Baumann, U.
Deposit date:2002-05-06
Release date:2002-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
1UWE
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MOLECULAR MECHANISM OF ENANTIOSELECTIVE PROTON TRANSFER TO CARBON IN CATALYTIC ANTIBODY 14D9
Descriptor:ANTIBODY 14D9
Authors:Baumann, U., Reymond, J.L.
Deposit date:2004-02-05
Release date:2004-02-27
Last modified:2017-03-15
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Molecular Mechanism of Enantioselective Proton Transfer to Carbon in Catalytic Antibody 14D9
Proc.Natl.Acad.Sci.USA, 101, 2004
1UWG
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MOLECULAR MECHANISM OF ENANTIOSELECTIVE PROTON TRANSFER TO CARBON IN CATALYTIC ANTIBODY 14D9
Descriptor:ANTIBODY 14D9, 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-1-METHYLPIPERIDINIUM, PHOSPHATE ION
Authors:Baumann, U., Reymond, J.L.
Deposit date:2004-02-05
Release date:2004-02-27
Last modified:2017-03-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Molecular Mechanism of Enantioselective Proton Transfer to Carbon in Catalytic Antibody 14D9
Proc.Natl.Acad.Sci.USA, 101, 2004
3DCQ
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LECB (PA-LII) IN COMPLEX WITH THE SYNTHETIC LIGAND 2G0
Descriptor:Fucose-binding lectin PA-IIL, CALCIUM ION, (2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide
Authors:Johansson, E.M., Crusz, S.A., Kolomiets, E., Buts, L., Kadam, R.U., Cacciarini, M., Bartels, K.M., Diggle, S.P., Camara, M., Williams, P., Loris, R., Nativi, C., Rosenau, F., Jaeger, K.E., Darbre, T., Reymond, J.L.
Deposit date:2008-06-04
Release date:2009-01-13
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.
Chem.Biol., 15, 2008
4LJH
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CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA LECTIN LECA COMPLEXED WITH 1-METHYL-3-INDOLYL-B-D-GALACTOPYRANOSIDE AT 1.45 A RESOLUTION
Descriptor:PA-I galactophilic lectin, CALCIUM ION, 1-methyl-1H-indol-3-ol, ...
Authors:Kadam, R.U., Stocker, A., Reymond, J.L.
Deposit date:2013-07-04
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
4LK6
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CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA LECTIN LECA COMPLEXED WITH CHLOROPHENOL RED-B-D-GALACTOPYRANOSIDE AT 2.86 A RESOLUTION
Descriptor:PA-I galactophilic lectin, CALCIUM ION, 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, ...
Authors:Kadam, R.U., Stocker, A., Reymond, J.L.
Deposit date:2013-07-06
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.859 Å)
Cite:CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
4LK7
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CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA LECTIN LECA COMPLEXED WITH RESORUFIN-B-D-GALACTOPYRANOSIDE AT 1.76 A RESOLUTION
Descriptor:PA-I galactophilic lectin, CALCIUM ION, 7-hydroxy-3H-phenoxazin-3-one, ...
Authors:Kadam, R.U., Stocker, A., Reymond, J.L.
Deposit date:2013-07-06
Release date:2013-10-30
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
4ZS0
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HUMAN AURORA A CATALYTIC DOMAIN BOUND TO SB-6-OH
Descriptor:Aurora kinase A, 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one
Authors:Marcaida, M.J., Kilchmann, F., Schick, T., Reymond, J.L.
Deposit date:2015-05-12
Release date:2016-07-20
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
4ZTQ
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HUMAN AURORA A CATALYTIC DOMAIN BOUND TO FK932
Descriptor:Aurora kinase A, (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Marcaida, M.J., Kilchmann, F., Schick, T., Reymond, J.L.
Deposit date:2015-05-14
Release date:2016-07-20
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
4ZTR
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HUMAN AURORA A CATALYTIC DOMAIN BOUND TO FK1141
Descriptor:Aurora kinase A, 6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid
Authors:Marcaida, M.J., Kilchmann, F., Schick, T., Reymond, J.L.
Deposit date:2015-05-15
Release date:2016-07-20
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
4ZTS
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HUMAN AURORA A CATALYTIC DOMAIN BOUND TO FK1142
Descriptor:Aurora kinase A, (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Marcaida, M.J., Kilchmann, F., Schick, T., Reymond, J.L.
Deposit date:2015-05-15
Release date:2016-07-20
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
5D2A
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BIFUNCTIONAL DENDRIMERS
Descriptor:Fucose-binding lectin, ZDC-ALA-PRO-ALA-LYS-PHE-CYS-ALA-PRO-ALA-PHB-GAL, CALCIUM ION, ...
Authors:Michaud, G., Visini, R., Stocker, A., Darbre, T., Reymond, J.L.
Deposit date:2015-08-05
Release date:2016-02-10
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers.
Chem Sci, 7, 2016
6EJI
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STRUCTURE OF A GLYCOSYLTRANSFERASE
Descriptor:WlaC protein, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, POTASSIUM ION, ...
Authors:Ramirez, A.S., Boilevin, J., Mehdipour, A.R., Hummer, G., Darbre, T., Reymond, J.L., Locher, K.P.
Deposit date:2017-09-21
Release date:2018-02-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase.
Nat Commun, 9, 2018
6EJJ
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STRUCTURE OF A GLYCOSYLTRANSFERASE / STATE 2
Descriptor:WlaC protein, URIDINE-5'-DIPHOSPHATE, SODIUM ION, ...
Authors:Ramirez, A.S., Boilevin, J., Mehdipour, A.R., Hummer, G., Darbre, T., Reymond, J.L., Locher, K.P.
Deposit date:2017-09-21
Release date:2018-02-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase.
Nat Commun, 9, 2018
6EJK
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STRUCTURE OF A GLYCOSYLTRANSFERASE
Descriptor:WlaC protein, Uridine-Diphosphate-Methylene-N-acetyl-galactosamine, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ...
Authors:Ramirez, A.S., Boilevin, J., Mehdipour, A.R., Hummer, G., Darbre, T., Reymond, J.L., Locher, K.P.
Deposit date:2017-09-21
Release date:2018-02-07
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase.
Nat Commun, 9, 2018
6Q6W
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STRUCTURE OF FUCOSYLATED D-ANTIMICROBIAL PEPTIDE SB5 IN COMPLEX WITH THE FUCOSE-BINDING LECTIN PA-IIL AT 1.438 ANGSTROM RESOLUTION
Descriptor:Fucose-binding lectin, SB5, CALCIUM ION, ...
Authors:Baeriswyl, S., Stocker, A., Reymond, J.L.
Deposit date:2018-12-12
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.438 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 2019
6Q86
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STRUCTURE OF FUCOSYLATED D-ANTIMICROBIAL PEPTIDE SB4 IN COMPLEX WITH THE FUCOSE-BINDING LECTIN PA-IIL AT 2.008 ANGSTROM RESOLUTION
Descriptor:Fucose-binding lectin, SB4, CALCIUM ION, ...
Authors:Baeriswyl, S., Stocker, A., Reymond, J.L.
Deposit date:2018-12-14
Release date:2019-03-20
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 2019
6Q8H
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STRUCTURE OF FUCOSYLATED D-ANTIMICROBIAL PEPTIDE SB10 IN COMPLEX WITH THE FUCOSE-BINDING LECTIN PA-IIL AT 1.707 ANGSTROM RESOLUTION
Descriptor:Fucose-binding lectin, SB10, CALCIUM ION, ...
Authors:Baeriswyl, S., Stocker, A., Reymond, J.L.
Deposit date:2018-12-14
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 2019
4YW6
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STRUCTURAL INSIGHT INTO DIVALENT GALACTOSIDE BINDING TO PSEUDOMONAS AERUGINOSA LECTIN LECA
Descriptor:PA-I galactophilic lectin, CALCIUM ION, N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide
Authors:Visini, R., Jin, X., Michaud, G., Bergmann, M., Gillon, E., Imberty, A., Stocker, A., Darbre, T., Pieters, R., Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
4YW7
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STRUCTURAL INSIGHT INTO DIVALENT GALACTOSIDE BINDING TO PSEUDOMONAS AERUGINOSA LECTIN LECA
Descriptor:PA-I galactophilic lectin, CALCIUM ION, BETA-D-GALACTOSE, ...
Authors:Visini, R., Jin, X., Michaud, G., Bergmann, M., Gillon, E., Imberty, A., Stocker, A., Darbre, T., Pieters, R., Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
4YWA
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STRUCTURAL INSIGHT INTO DIVALENT GALACTOSIDE BINDING TO PSEUDOMONAS AERUGINOSA LECTIN LECA
Descriptor:PA-I galactophilic lectin, CALCIUM ION, (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol]
Authors:Visini, R., Jin, X., Michaud, G., Bergmann, M., Gillon, E., Imberty, A., Stocker, A., Darbre, T., Pieters, R., Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (1.192 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
5D21
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MULTIVALENCY EFFECTS IN GLYCOPEPTIDE DENDRIMER INHIBITORS OF PSEUDOMONAS AERUGINOSA BIOFILMS TARGETING LECTIN LECA
Descriptor:LecA, CALCIUM ION, phenyl beta-D-galactopyranoside
Authors:Bergmann, M., Michaud, G., Visini, R., Jin, X., Stocker, A., Darbre, T., Reymond, J.-L.
Deposit date:2015-08-05
Release date:2015-11-25
Last modified:2015-12-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016
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