3EHA
 
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6YZ0
 | | Full length Open-form Sodium Channel NavMs F208L in complex with Cannabidiol (CBD) | | 分子名称: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol, DODECAETHYLENE GLYCOL, HEGA-10, ... | | 著者 | Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A. | | 登録日 | 2020-05-06 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
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9G1M
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry B02 | | 分子名称: | 1,2,3,4-tetrahydroisoquinoline, 1,2-ETHANEDIOL, Fosfomycin resistance protein, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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6GOY
 | | Structure of mEos4b in the green fluorescent state | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D. | | 登録日 | 2018-06-04 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Mechanistic investigation of mEos4b reveals a strategy to reduce track interruptions in sptPALM.
Nat.Methods, 16, 2019
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9G1B
 | | Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry A09 | | 分子名称: | 1,2-ETHANEDIOL, 2-sulfanylpyridine-3-carboximidamide, Fosfomycin resistance protein, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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6O1H
 | | Tryptophan synthase Q114A mutant in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site | | 分子名称: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | 登録日 | 2019-02-19 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine (PLS) at the beta-site.
To be Published
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5M3T
 | | Structural tuning of CD81LEL (space group P64) | | 分子名称: | 1,2-ETHANEDIOL, CD81 antigen, CHLORIDE ION | | 著者 | Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G. | | 登録日 | 2016-10-17 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.021 Å) | | 主引用文献 | Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop.
Structure, 25, 2017
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9G1O
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E07 | | 分子名称: | 1,2-ETHANEDIOL, 6-azanyl-3-methyl-1,3-benzoxazol-2-one, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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8AU3
 | | c-MET Y1234E,Y1235E mutant in complex with Tepotinib | | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ... | | 著者 | Graedler, U, Lammens, A. | | 登録日 | 2022-08-25 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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8AW1
 | | c-MET Y1235D mutant in complex with Tepotinib | | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor | | 著者 | Graedler, U, Lammens, A. | | 登録日 | 2022-08-29 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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9G1N
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E04 | | 分子名称: | 1,2-ETHANEDIOL, 3-phenyl-1,2-oxazol-5-amine, Fosfomycin resistance protein, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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9G1L
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry A12 | | 分子名称: | 1,2-ETHANEDIOL, 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, Fosfomycin resistance protein, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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5JZB
 | | Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | | 分子名称: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-16 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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6QJ7
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9G1P
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E12 | | 分子名称: | 1,2-ETHANEDIOL, 6-azanyl-3-methyl-1,3-benzoxazol-2-one, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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5M23
 | | Modulation of MLL1 Methyltransferase Activity | | 分子名称: | 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide, WD repeat-containing protein 5 | | 著者 | Srinivasan, V. | | 登録日 | 2016-10-11 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia.
Chem Sci, 8, 2017
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7QVL
 | | OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | | 分子名称: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | | 著者 | Breed, J. | | 登録日 | 2022-01-21 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
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9G1Q
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G08 | | 分子名称: | 1,2-ETHANEDIOL, Fosfomycin resistance protein, MANGANESE (II) ION, ... | | 著者 | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | 登録日 | 2024-07-10 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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4ZEK
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8XOA
 | | VMAT2 complex with MPP+ | | 分子名称: | 1-methyl-4-phenylpyridin-1-ium, Synaptic vesicular amine transporter,Synaptic vesicular amine transporter,transporterA | | 著者 | Jiang, D.H, Wu, D. | | 登録日 | 2023-12-31 | | 公開日 | 2024-05-08 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
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6SZJ
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8QDY
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6WCX
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6Z1F
 | | CryoEM structure of Rubisco Activase with its substrate Rubisco from Nostoc sp. (strain PCC7120) | | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M. | | 登録日 | 2020-05-13 | | 公開日 | 2020-09-23 | | 最終更新日 | 2025-04-09 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
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6NPF
 | | Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite. | | 分子名称: | Enolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | 著者 | Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D. | | 登録日 | 2019-01-17 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
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