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PDB: 26 件

7RDH
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Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin
分子名称: 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, ...
著者Kadam, R.U, Wilson, I.A.
登録日2021-07-09
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6CF7
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Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Kadam, R.U, Wilson, I.A.
登録日2018-02-13
公開日2019-02-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.719 Å)
主引用文献A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6CFG
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Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
分子名称: 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, ...
著者Kadam, R.U, Wilson, I.A.
登録日2018-02-14
公開日2019-02-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
8SD4
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Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
分子名称: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Kadam, R.U, Zhu, X, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SD2
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BU of 8sd2 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
分子名称: (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kadam, R.U, Zhu, X.Y, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
5T6N
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Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with the antiviral drug arbidol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Kadam, R.U, Wilson, I.A.
登録日2016-09-01
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献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
分子名称: 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, ...
著者Kadam, R.U, Wilson, I.A.
登録日2016-09-01
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3ZYH
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BU of 3zyh by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALBG0 AT 1.5 A RESOLUTION
分子名称: 3-(beta-D-galactopyranosylthio)propanoic acid, CALCIUM ION, PA-I galactophilic lectin
著者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.
登録日2011-08-23
公開日2011-09-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献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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CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALAG0 AT 2.3 A RESOLUTION
分子名称: CALCIUM ION, GALA-LYS-PRO-LEUNH2, P-HYDROXYBENZOIC ACID, ...
著者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.
登録日2011-08-19
公開日2011-09-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献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
分子名称: 4-nitrophenyl beta-D-galactopyranoside, CALCIUM ION, PA-I GALACTOPHILIC LECTIN
著者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.
登録日2011-08-22
公開日2011-09-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
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)
分子名称: (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, ...
著者kadam, R.U, Wilson, I.A.
登録日2020-03-31
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献An influenza A hemagglutinin small-molecule fusion inhibitor identified by a new high-throughput fluorescence polarization screen.
Proc.Natl.Acad.Sci.USA, 117, 2020
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
分子名称: 1-methyl-1H-indol-3-ol, CALCIUM ION, PA-I galactophilic lectin, ...
著者Kadam, R.U, Stocker, A, Reymond, J.L.
登録日2013-07-04
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ...
著者Kadam, R.U, Stocker, A, Reymond, J.-L.
登録日2013-07-07
公開日2013-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
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
分子名称: 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, CALCIUM ION, PA-I galactophilic lectin, ...
著者Kadam, R.U, Stocker, A, Reymond, J.L.
登録日2013-07-06
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.859 Å)
主引用文献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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BU of 4lk7 by Molmil
Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Resorufin-b-D-galactopyranoside at 1.76 A Resolution
分子名称: 7-hydroxy-3H-phenoxazin-3-one, CALCIUM ION, PA-I galactophilic lectin, ...
著者Kadam, R.U, Stocker, A, Reymond, J.L.
登録日2013-07-06
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献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
分子名称: CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ...
著者Kadam, R.U, Stocker, A, Reymond, J.-L.
登録日2013-07-07
公開日2013-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
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
分子名称: CALCIUM ION, P-HYDROXYBENZOIC ACID, PA-I galactophilic lectin, ...
著者Kadam, R.U, Stocker, A, Reymond, J.-L.
登録日2013-07-07
公開日2013-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting LecA.
Chemistry, 19, 2013
3DCQ
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BU of 3dcq by Molmil
LECB (PA-LII) in complex with the synthetic ligand 2G0
分子名称: (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
著者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.
登録日2008-06-04
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.
Chem.Biol., 15, 2008
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
分子名称: 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, ...
著者wilson, I.A, Kadam, R.U.
登録日2018-02-12
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献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
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
分子名称: 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, ...
著者Wilson, I.A, Kadam, R.U.
登録日2018-02-13
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
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)
分子名称: 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, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-15
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.461 Å)
主引用文献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)
分子名称: 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, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-16
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献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)
分子名称: 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, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-16
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献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)
分子名称: 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, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-15
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献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)
分子名称: 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, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-16
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.731 Å)
主引用文献Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017

 

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