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4LKF
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BU of 4lkf by Molmil
Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WKY at 1.64 A Resolution
Descriptor: CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ...
Authors:Kadam, R.U, Stocker, A, Reymond, J.-L.
Deposit date:2013-07-07
Release date:2013-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
3ZYH
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BU of 3zyh by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALBG0 AT 1.5 A RESOLUTION
Descriptor: 3-(beta-D-galactopyranosylthio)propanoic acid, CALCIUM ION, PA-I galactophilic lectin
Authors:Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2011-08-23
Release date:2011-09-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:A Glycopeptide Dendrimer Inhibitor of the Galactose Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms
Angew.Chem.Int.Ed.Engl., 50, 2011
3ZYB
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BU of 3zyb by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALAG0 AT 2.3 A RESOLUTION
Descriptor: CALCIUM ION, GALA-LYS-PRO-LEUNH2, P-HYDROXYBENZOIC ACID, ...
Authors:Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2011-08-19
Release date:2011-09-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
3ZYF
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BU of 3zyf by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION
Descriptor: 4-nitrophenyl beta-D-galactopyranoside, CALCIUM ION, PA-I GALACTOPHILIC LECTIN
Authors:Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2011-08-22
Release date:2011-09-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
4LK6
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BU of 4lk6 by Molmil
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
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BU of 4ljh by Molmil
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
4LKE
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BU of 4lke by Molmil
Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WRI at 1.65 A Resolution
Descriptor: CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ...
Authors:Kadam, R.U, Stocker, A, Reymond, J.-L.
Deposit date:2013-07-07
Release date:2013-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
4LK7
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BU of 4lk7 by Molmil
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
4LKD
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BU of 4lkd by Molmil
Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-QRS at 2.31 A Resolution
Descriptor: CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ...
Authors:Kadam, R.U, Stocker, A, Reymond, J.-L.
Deposit date:2013-07-07
Release date:2013-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
5T6N
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BU of 5t6n by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with the antiviral drug arbidol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2016-09-01
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5T6S
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BU of 5t6s by Molmil
Crystal structure of the A/Shanghai/2/2013 (H7N9) influenza virus hemagglutinin in complex with the antiviral drug arbidol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2016-09-01
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7RDH
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BU of 7rdh by Molmil
Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed protein H3mb, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2021-07-09
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6CF5
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BU of 6cf5 by Molmil
Crystal structure of the A/Viet Nam/1203/2004(H5N1) influenza virus hemagglutinin in complex with small molecule N-Cyclohexyltaurine
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2018-02-13
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A small-molecule fragment that emulates binding of receptor and broadly neutralizing antibodies to influenza A hemagglutinin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CFG
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BU of 6cfg by Molmil
Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-14
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6CF7
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BU of 6cf7 by Molmil
Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-13
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.719 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6CEX
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BU of 6cex by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with small molecule N-Cyclohexyltaurine
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:wilson, I.A, Kadam, R.U.
Deposit date:2018-02-12
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:A small-molecule fragment that emulates binding of receptor and broadly neutralizing antibodies to influenza A hemagglutinin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6WCR
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BU of 6wcr by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule F0045(S)
Descriptor: (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:kadam, R.U, Wilson, I.A.
Deposit date:2020-03-31
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:An influenza A hemagglutinin small-molecule fusion inhibitor identified by a new high-throughput fluorescence polarization screen.
Proc.Natl.Acad.Sci.USA, 117, 2020
5W6U
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BU of 5w6u by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP121068 (P2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ARG-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W5U
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BU of 5w5u by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141037 (P4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-15
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6T
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BU of 5w6t by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP151070 (P7)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-ZCL-GLU-TRP-LEU-SER-9WV, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6I
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BU of 5w6i by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141046 (P3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W5S
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BU of 5w5s by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141019 (P5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-ZCL-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-15
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6R
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BU of 5w6r by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141099 (P6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-9WV, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.731 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
3DCQ
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BU of 3dcq by Molmil
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
7OPB
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BU of 7opb by Molmil
IL7R in complex with an antagonist
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ...
Authors:Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N.
Deposit date:2021-05-31
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022

 

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