8PQI
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![BU of 8pqi by Molmil](/molmil-images/mine/8pqi) | PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9 | Descriptor: | (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 | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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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![BU of 8pqj by Molmil](/molmil-images/mine/8pqj) | PDGFRA wild-type kinase domain | Descriptor: | Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQ9
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![BU of 8pq9 by Molmil](/molmil-images/mine/8pq9) | c-KIT kinase domain in complex with avapritinib | Descriptor: | Avapritinib, Mast/stem cell growth factor receptor Kit, SULFATE ION | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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![BU of 8pqg by Molmil](/molmil-images/mine/8pqg) | |
8PQA
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![BU of 8pqa by Molmil](/molmil-images/mine/8pqa) | c-KIT kinase domain in complex with avapritinib derivative 4 | Descriptor: | 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 | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQF
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![BU of 8pqf by Molmil](/molmil-images/mine/8pqf) | c-KIT kinase domain in complex with avapritinib derivative 12 | Descriptor: | 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 | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQB
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![BU of 8pqb by Molmil](/molmil-images/mine/8pqb) | c-KIT kinase domain in complex with avapritinib derivative 8 | Descriptor: | (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 | Authors: | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | 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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![BU of 8pqk by Molmil](/molmil-images/mine/8pqk) | |
8PQD
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![BU of 8pqd by Molmil](/molmil-images/mine/8pqd) | c-KIT kinase domain in complex with avapritinib derivative 10 | Descriptor: | 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 | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PJN
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![BU of 8pjn by Molmil](/molmil-images/mine/8pjn) | Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin | Descriptor: | E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ... | Authors: | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | Deposit date: | 2023-06-23 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies. Mol.Cell, 84, 2024
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8PK3
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![BU of 8pk3 by Molmil](/molmil-images/mine/8pk3) | CryoEM reconstruction of hemagglutinin HK68 of Influenza A virus bound to an Affimer reagent | Descriptor: | 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), ... | Authors: | Debski-Antoniak, O, Flynn, A, Klebl, D.P, Tiede, C, Muench, S, Tomlinson, D, Fontana, J. | Deposit date: | 2023-06-24 | Release date: | 2024-01-03 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Exploiting the Affimer platform against influenza A virus To Be Published
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8CWI
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![BU of 8cwi by Molmil](/molmil-images/mine/8cwi) | Fab arm of antibody 10G4 bound to CoV-2 receptor binding domain (RBD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of Fab arm of antibody 10G4, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2022-05-19 | Release date: | 2023-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies To Be Published
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8PMQ
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![BU of 8pmq by Molmil](/molmil-images/mine/8pmq) | Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin | Descriptor: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ... | Authors: | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | Deposit date: | 2023-06-29 | Release date: | 2024-01-03 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies. Mol.Cell, 84, 2024
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8CWJ
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![BU of 8cwj by Molmil](/molmil-images/mine/8cwj) | |
8D2V
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![BU of 8d2v by Molmil](/molmil-images/mine/8d2v) | Zebrafish MFSD2A isoform B in inward open ligand 1B conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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8D02
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![BU of 8d02 by Molmil](/molmil-images/mine/8d02) | Crystal Structure of Bacillus anthracis BxpB | Descriptor: | BxpB, CALCIUM ION | Authors: | Chattopadhyay, D, Turnbough, C.L. | Deposit date: | 2022-05-25 | Release date: | 2023-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure and induced stability of trimeric BxpB: implications for the assembly of BxpB-BclA complexes in the exosporium of Bacillus anthracis. Mbio, 14, 2023
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8CWK
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![BU of 8cwk by Molmil](/molmil-images/mine/8cwk) | |
7AH3
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![BU of 7ah3 by Molmil](/molmil-images/mine/7ah3) | Kinase domain of cSrc in complex with a pyrazolopyrimidine | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | Deposit date: | 2020-09-24 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of pyrazolopyrimidines to Src kinase To Be Published
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8Q34
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![BU of 8q34 by Molmil](/molmil-images/mine/8q34) | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
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7AL8
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![BU of 7al8 by Molmil](/molmil-images/mine/7al8) | |
8D2S
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![BU of 8d2s by Molmil](/molmil-images/mine/8d2s) | Zebrafish MFSD2A isoform B in inward open ligand bound conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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8D2U
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![BU of 8d2u by Molmil](/molmil-images/mine/8d2u) | Zebrafish MFSD2A isoform B in inward open ligand 1A conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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7AUG
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![BU of 7aug by Molmil](/molmil-images/mine/7aug) | Crystal structure of rsGCamP1.3 in the ON state | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ... | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | Deposit date: | 2020-11-03 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging. Nat.Biotechnol., 40, 2022
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8PP0
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![BU of 8pp0 by Molmil](/molmil-images/mine/8pp0) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 | Descriptor: | 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 | Authors: | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-07-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties. J.Med.Chem., 67, 2024
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8D2W
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![BU of 8d2w by Molmil](/molmil-images/mine/8d2w) | Zebrafish MFSD2A isoform B in inward open ligand 2B conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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