8PQE
 
 | | c-KIT kinase domain in complex with avapritinib derivative 11 | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | 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 (2 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQH
 | | PDGFRA T674I mutant kinase domain in complex with avapritinib | | Descriptor: | Avapritinib, 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 (2.5 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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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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1F29
 | | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I) | | Descriptor: | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, CRUZAIN | | Authors: | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | | Deposit date: | 2000-05-23 | | Release date: | 2000-07-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
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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
 | | 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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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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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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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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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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7Q6Y
 | | The X-ray crystal structure of CbTan2, a tannase enzyme from Clostridium butyricum | | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta hydrolase, DI(HYDROXYETHYL)ETHER | | Authors: | Coleman, T, Mazurkewich, S, Larsbrink, J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural diversity and substrate preferences of three tannase enzymes encoded by the anaerobic bacterium Clostridium butyricum.
J.Biol.Chem., 298, 2022
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6RA9
 | | Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus | | Descriptor: | Elongation factor 1-alpha 2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Carriles, A.A, Hermoso, J, Gago, F. | | Deposit date: | 2019-04-05 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Cues for Understanding eEF1A2 Moonlighting.
Chembiochem, 22, 2021
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8PQK
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1CO6
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7ZZI
 | | Plasmodium falciparum hexokinase complexed with glucose and citrate | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ... | | Authors: | Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K. | | Deposit date: | 2022-05-25 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion.
Int J Mol Sci, 24, 2023
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8DCC
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7ZM5
 | | Structure of Mossman virus receptor binding protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Attachment glycoprotein | | Authors: | Stelfox, A.J, Bowden, T.A, Rissanen, I, Harlos, K. | | Deposit date: | 2022-04-19 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure and solution state of the C-terminal head region of the narmovirus receptor binding protein.
Mbio, 14, 2023
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8D3F
 | | Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST | | Descriptor: | Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST | | Authors: | Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D. | | Deposit date: | 2022-06-01 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment.
Nat Commun, 13, 2022
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7QBZ
 | | Crystal structure Cadmium translocating P-type ATPase | | Descriptor: | Cadmium translocating P-type ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION | | Authors: | Groenberg, C, Hu, Q, Wang, K, Gourdon, P. | | Deposit date: | 2021-11-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure and ion-release mechanism of P IB-4 -type ATPases.
Elife, 10, 2021
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7QC0
 | | Crystal structure of Cadmium translocating P-type ATPase | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Cadmium translocating P-type ATPase, MAGNESIUM ION | | Authors: | Groenberg, C, Hu, Q, Wang, K, Gourdon, P. | | Deposit date: | 2021-11-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structure and ion-release mechanism of P IB-4 -type ATPases.
Elife, 10, 2021
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1QL3
 | | Structure of the soluble domain of cytochrome c552 from Paracoccus denitrificans in the reduced state | | Descriptor: | CYTOCHROME C552, HEME C | | Authors: | Harrenga, A, Reincke, B, Rueterjans, H, Ludwig, B, Michel, H. | | Deposit date: | 1999-08-20 | | Release date: | 2000-02-06 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the Soluble Domain of Cytochrome C552 from Paracoccus Denitrificans in the Oxidized and Reduced States
J.Mol.Biol., 295, 2000
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1D3S
 | | 1.4 A crystal structure of nitrophorin 4 from Rhodnius prolixis at pH=5.6. | | Descriptor: | NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Andersen, J.F, Roberts, S.A, Montfort, W.R. | | Deposit date: | 1999-09-30 | | Release date: | 2000-07-07 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Nitric oxide binding to nitrophorin 4 induces complete distal pocket burial.
Nat.Struct.Biol., 7, 2000
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8PH4
 | | Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | | Authors: | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2023-06-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
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1IKD
 | | ACCEPTOR STEM, NMR, 30 STRUCTURES | | Descriptor: | TRNA ALA ACCEPTOR STEM | | Authors: | Ramos, A, Varani, G. | | Deposit date: | 1996-11-15 | | Release date: | 1997-04-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the acceptor stem of Escherichia coli tRNA Ala: role of the G3.U70 base pair in synthetase recognition.
Nucleic Acids Res., 25, 1997
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