8PQC
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![BU of 8pqc by Molmil](/molmil-images/mine/8pqc) | c-KIT 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, Mast/stem cell growth factor receptor Kit | Authors: | Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQH
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![BU of 8pqh by Molmil](/molmil-images/mine/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
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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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1YMM
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![BU of 1ymm by Molmil](/molmil-images/mine/1ymm) | TCR/HLA-DR2b/MBP-peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Hahn, M, Nicholson, M.J, Pyrdol, J, Wucherpfennig, K.W. | Deposit date: | 2005-01-21 | Release date: | 2005-05-03 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Unconventional topology of self peptide-major histocompatibility complex binding by a human autoimmune T cell receptor. NAT.IMMUNOL., 6, 2005
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1YHI
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![BU of 1yhi by Molmil](/molmil-images/mine/1yhi) | Uncyclized precursor structure of S65A Y66S R96A GFP variant | Descriptor: | Green Fluorescent Protein | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2005-01-08 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Understanding GFP Chromophore Biosynthesis: Controlling Backbone Cyclization and Modifying Post-translational Chemistry(,). Biochemistry, 44, 2005
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1YJD
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![BU of 1yjd by Molmil](/molmil-images/mine/1yjd) | Crystal structure of human CD28 in complex with the Fab fragment of a mitogenic antibody (5.11A1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment of 5.11A1 antibody heavy chain, Fab fragment of 5.11A1 antibody light chain, ... | Authors: | Evans, E.J, Esnouf, R.M, Manso-Sancho, R, Gilbert, R.J.C, James, J.R, Sorensen, P, Stuart, D.I, Davis, S.J. | Deposit date: | 2005-01-14 | Release date: | 2005-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a soluble CD28-Fab complex Nat.Immunol., 6, 2005
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8APZ
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![BU of 8apz by Molmil](/molmil-images/mine/8apz) | |
8AQ0
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![BU of 8aq0 by Molmil](/molmil-images/mine/8aq0) | |
8AAB
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![BU of 8aab by Molmil](/molmil-images/mine/8aab) | S148F mutant of blue-to-red fluorescent timer mRubyFT | Descriptor: | mRubyFT S148F mutant of blue-to-red fluorescent timer | Authors: | Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Dorovatovskii, P.V, Subach, O.M, Popov, V.O, Subach, F.V. | Deposit date: | 2022-06-30 | Release date: | 2022-08-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | mRubyFT/S147I, a mutant of blue-to-red fluorescent timer Crystallography Reports, 2022
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1Z7C
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![BU of 1z7c by Molmil](/molmil-images/mine/1z7c) | |
1ZAI
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![BU of 1zai by Molmil](/molmil-images/mine/1zai) | Fructose-1,6-bisphosphate Schiff base intermediate in FBP aldolase from rabbit muscle | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase A | Authors: | St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J. | Deposit date: | 2005-04-06 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit. J.Biol.Chem., 280, 2005
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1ZF5
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![BU of 1zf5 by Molmil](/molmil-images/mine/1zf5) | GCT duplex B-DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-19 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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8AUC
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![BU of 8auc by Molmil](/molmil-images/mine/8auc) | Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form | Descriptor: | Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II) | Authors: | Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P. | Deposit date: | 2022-08-25 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales. Proc.Natl.Acad.Sci.USA, 119, 2022
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6VCD
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![BU of 6vcd by Molmil](/molmil-images/mine/6vcd) | Cryo-EM structure of IRP2-FBXL5-SKP1 complex | Descriptor: | F-box/LRR-repeat protein 5, FE2/S2 (INORGANIC) CLUSTER, Iron-responsive element binding protein 2, ... | Authors: | Wang, H, Shi, H, Zheng, N. | Deposit date: | 2019-12-20 | Release date: | 2020-08-05 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | FBXL5 Regulates IRP2 Stability in Iron Homeostasis via an Oxygen-Responsive [2Fe2S] Cluster. Mol.Cell, 78, 2020
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8AIF
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![BU of 8aif by Molmil](/molmil-images/mine/8aif) | |
1ZAJ
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![BU of 1zaj by Molmil](/molmil-images/mine/1zaj) | Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with mannitol-1,6-bisphosphate, a competitive inhibitor | Descriptor: | D-MANNITOL-1,6-DIPHOSPHATE, Fructose-bisphosphate aldolase A | Authors: | St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J. | Deposit date: | 2005-04-06 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit. J.Biol.Chem., 280, 2005
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1ZDL
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![BU of 1zdl by Molmil](/molmil-images/mine/1zdl) | Crystal Structure of Mouse Thioredoxin Reductase Type 2 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 2, ... | Authors: | Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J. | Deposit date: | 2005-04-14 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism. Proc.Natl.Acad.Sci.Usa, 102, 2005
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