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6YU6
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BU of 6yu6 by Molmil
Crystal structure of MhsT in complex with L-leucine
分子名称: DODECYL-BETA-D-MALTOSIDE, LEUCINE, SODIUM ION, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6YU4
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BU of 6yu4 by Molmil
Crystal structure of MhsT in complex with L-4F-phenylalanine
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4-FLUORO-L-PHENYLALANINE, DODECYL-BETA-D-MALTOSIDE, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6YU5
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BU of 6yu5 by Molmil
Crystal structure of MhsT in complex with L-valine
分子名称: DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6YU7
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BU of 6yu7 by Molmil
Crystal structure of MhsT in complex with L-tyrosine
分子名称: DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6YU2
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BU of 6yu2 by Molmil
Crystal structure of MhsT in complex with L-isoleucine
分子名称: ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6YU3
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BU of 6yu3 by Molmil
Crystal structure of MhsT in complex with L-phenylalanine
分子名称: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
8PBO
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BU of 8pbo by Molmil
Deep interactome learning for generative drug design
分子名称: 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ...
著者Hakansson, M, Focht, D, Atz, K, Schneider, G.
登録日2023-06-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
6TCK
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BU of 6tck by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
著者Welin, M, Kimbung, R, Focht, D.
登録日2019-11-06
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
6TTG
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BU of 6ttg by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
著者Welin, M, Kimbung, R, Focht, D.
登録日2019-12-27
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens.
Eur.J.Med.Chem., 213, 2021
8BSE
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BU of 8bse by Molmil
CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab
分子名称: 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
8BSF
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BU of 8bsf by Molmil
CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
5KSD
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BU of 5ksd by Molmil
Crystal Structure of a Plasma Membrane Proton Pump
分子名称: ATPase 2, plasma membrane-type, DODECYL-BETA-D-MALTOSIDE, ...
著者Croll, T, Pedersen, B.P, Nissen, P.
登録日2016-07-08
公開日2016-08-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Improved Model of Proton Pump Crystal Structure Obtained by Interactive Molecular Dynamics Flexible Fitting Expands the Mechanistic Model for Proton Translocation in P-Type ATPases.
Front Physiol, 8, 2017

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件を2024-05-15に公開中

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