3DCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dcq by Molmil](/molmil-images/mine/3dcq) | LECB (PA-LII) in complex with the synthetic ligand 2G0 | Descriptor: | (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, CALCIUM ION, Fucose-binding lectin PA-IIL | 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: | 2023-11-01 | 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
|
|
5D2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d2a by Molmil](/molmil-images/mine/5d2a) | Bifunctional dendrimers | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L. | Deposit date: | 2015-08-05 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers. Chem Sci, 7, 2016
|
|
6Q8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q8h by Molmil](/molmil-images/mine/6q8h) | Structure of Fucosylated D-antimicrobial peptide SB10 in complex with the Fucose-binding lectin PA-IIL at 1.707 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.L. | Deposit date: | 2018-12-14 | Release date: | 2019-03-20 | Last modified: | 2024-01-31 | 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., 14, 2019
|
|
6Q6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q6w by Molmil](/molmil-images/mine/6q6w) | Structure of Fucosylated D-antimicrobial peptide SB5 in complex with the Fucose-binding lectin PA-IIL at 1.438 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.L. | Deposit date: | 2018-12-12 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | 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., 14, 2019
|
|
6Q86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q86 by Molmil](/molmil-images/mine/6q86) | Structure of Fucosylated D-antimicrobial peptide SB4 in complex with the Fucose-binding lectin PA-IIL at 2.008 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.L. | Deposit date: | 2018-12-14 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | 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., 14, 2019
|
|
1LO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lo3 by Molmil](/molmil-images/mine/1lo3) | Retro-Diels-Alderase Catalytic Antibody: Product Analogue | Descriptor: | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID, 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 (2.3 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
|
|
1LO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lo2 by Molmil](/molmil-images/mine/1lo2) | 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: | 2021-07-21 | 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
|
|
1LO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lo4 by Molmil](/molmil-images/mine/1lo4) | 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: | 2019-07-24 | 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
|
|
1LO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lo0 by Molmil](/molmil-images/mine/1lo0) | Catalytic Retro-Diels-Alderase Transition State Analogue Complex | Descriptor: | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID, If kappa light chain, Ig gamma 2a heavy chain | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | Deposit date: | 2002-05-05 | Release date: | 2002-06-26 | Last modified: | 2024-04-03 | 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
|
|
1UWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uwg by Molmil](/molmil-images/mine/1uwg) | |
1UWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uwe by Molmil](/molmil-images/mine/1uwe) | |
6EJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ejj by Molmil](/molmil-images/mine/6ejj) | Structure of a glycosyltransferase / state 2 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, NerylNeryl pyrophosphate, ... | 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: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase. Nat Commun, 9, 2018
|
|
6EJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eji by Molmil](/molmil-images/mine/6eji) | Structure of a glycosyltransferase | Descriptor: | CHLORIDE ION, GLYCEROL, 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
|
|
6EJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ejk by Molmil](/molmil-images/mine/6ejk) | Structure of a glycosyltransferase | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose, NerylNeryl pyrophosphate, Uridine-Diphosphate-Methylene-N-acetyl-galactosamine, ... | 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: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase. Nat Commun, 9, 2018
|
|
6SNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sni by Molmil](/molmil-images/mine/6sni) | Cryo-EM structure of nanodisc reconstituted yeast ALG6 in complex with 6AG9 Fab | Descriptor: | 6AG9-Fab heavy chain, 6AG9-Fab light chain, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | Deposit date: | 2019-08-24 | Release date: | 2020-03-11 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6. Nature, 579, 2020
|
|
4LK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lk7 by Molmil](/molmil-images/mine/4lk7) | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Resorufin-b-D-galactopyranoside at 1.76 A Resolution | Descriptor: | 7-hydroxy-3H-phenoxazin-3-one, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | Deposit date: | 2013-07-06 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | 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
|
|
4LK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lk6 by Molmil](/molmil-images/mine/4lk6) | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Chlorophenol Red-b-D-galactopyranoside at 2.86 A Resolution | Descriptor: | 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | Deposit date: | 2013-07-06 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | 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
|
|
4LJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ljh by Molmil](/molmil-images/mine/4ljh) | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with 1-Methyl-3-indolyl-b-D-galactopyranoside at 1.45 A Resolution | Descriptor: | 1-methyl-1H-indol-3-ol, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | Deposit date: | 2013-07-04 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | 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
|
|
6SNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6snh by Molmil](/molmil-images/mine/6snh) | Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and Dol25-P-Glc | Descriptor: | 6AG9 Fab heavy chain, 6AG9 Fab light chain, Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase, ... | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | Deposit date: | 2019-08-24 | Release date: | 2020-03-11 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6. Nature, 579, 2020
|
|
4ZS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zs0 by Molmil](/molmil-images/mine/4zs0) | Human Aurora A catalytic domain bound to SB-6-OH | Descriptor: | 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one, Aurora kinase A | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | Deposit date: | 2015-05-12 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. J.Med.Chem., 59, 2016
|
|
4ZTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zts by Molmil](/molmil-images/mine/4zts) | Human Aurora A catalytic domain bound to FK1142 | Descriptor: | (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, Aurora kinase A | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | Deposit date: | 2015-05-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. J.Med.Chem., 59, 2016
|
|
4ZTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ztr by Molmil](/molmil-images/mine/4ztr) | Human Aurora A catalytic domain bound to FK1141 | Descriptor: | 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, Aurora kinase A | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | Deposit date: | 2015-05-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. J.Med.Chem., 59, 2016
|
|
4ZTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ztq by Molmil](/molmil-images/mine/4ztq) | Human Aurora A catalytic domain bound to FK932 | Descriptor: | (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, Aurora kinase A | Authors: | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | Deposit date: | 2015-05-14 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. J.Med.Chem., 59, 2016
|
|
7ZLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zlj by Molmil](/molmil-images/mine/7zlj) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in ternary complex with Dol25-P-C-Man and acceptor peptide, bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mao, R, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
|
|
7ZLI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zli by Molmil](/molmil-images/mine/7zli) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with Dol25-P-Man and bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
|
|