8PQI
 
 | | PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9 | | 分子名称: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | | 著者 | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQJ
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8PQ9
 | | c-KIT kinase domain in complex with avapritinib | | 分子名称: | Avapritinib, Mast/stem cell growth factor receptor Kit, SULFATE ION | | 著者 | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQG
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8PQA
 | | c-KIT kinase domain in complex with avapritinib derivative 4 | | 分子名称: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine, Mast/stem cell growth factor receptor Kit | | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQF
 | | c-KIT kinase domain in complex with avapritinib derivative 12 | | 分子名称: | Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate | | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQB
 | | c-KIT kinase domain in complex with avapritinib derivative 8 | | 分子名称: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | | 著者 | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQK
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8PQD
 | | c-KIT kinase domain in complex with avapritinib derivative 10 | | 分子名称: | Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide | | 著者 | Teuber, A, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PJN
 | | Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin | | 分子名称: | E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ... | | 著者 | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | 登録日 | 2023-06-23 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
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8PK3
 | | CryoEM reconstruction of hemagglutinin HK68 of Influenza A virus bound to an Affimer reagent | | 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, Affimer molecule (A31), ... | | 著者 | Debski-Antoniak, O, Flynn, A, Klebl, D.P, Tiede, C, Muench, S, Tomlinson, D, Fontana, J. | | 登録日 | 2023-06-24 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Exploiting the Affimer platform against influenza A virus
To Be Published
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8PMQ
 | | Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin | | 分子名称: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ... | | 著者 | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | | 登録日 | 2023-06-29 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
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8CWI
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8CWJ
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8D2V
 | | Zebrafish MFSD2A isoform B in inward open ligand 1B conformation | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | 著者 | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | 登録日 | 2022-05-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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8D02
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8CWK
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7AH3
 | | Kinase domain of cSrc in complex with a pyrazolopyrimidine | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | | 登録日 | 2020-09-24 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Insights into the binding of pyrazolopyrimidines to Src kinase
To Be Published
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | 著者 | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | 登録日 | 2023-08-03 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024
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7AL8
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8D2S
 | | Zebrafish MFSD2A isoform B in inward open ligand bound conformation | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | 著者 | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | 登録日 | 2022-05-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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8D2U
 | | Zebrafish MFSD2A isoform B in inward open ligand 1A conformation | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | 著者 | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | 登録日 | 2022-05-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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7AUG
 | | Crystal structure of rsGCamP1.3 in the ON state | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ... | | 著者 | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | 登録日 | 2020-11-03 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
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8PP0
 | | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 | | 分子名称: | 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-07-05 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties.
J.Med.Chem., 67, 2024
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8D2W
 | | Zebrafish MFSD2A isoform B in inward open ligand 2B conformation | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | 著者 | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | 登録日 | 2022-05-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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