4UV0
 
 | | Structure of a semisynthetic phosphorylated DAPK | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL | | Authors: | de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M. | | Deposit date: | 2014-08-01 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works
To be Published
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4WDG
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4UQI
 | | AP2 controls clathrin polymerization with a membrane-activated switch | | Descriptor: | AP-2 COMPLEX SUBUNIT ALPHA-2, AP-2 COMPLEX SUBUNIT BETA, AP-2 COMPLEX SUBUNIT MU, ... | | Authors: | Kelly, B.T, Graham, S.C, Liska, N, Dannhauser, P.N, Hoening, S, Ungewickell, E.J, Owen, D.J. | | Deposit date: | 2014-06-23 | | Release date: | 2014-07-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Clathrin Adaptors. Ap2 Controls Clathrin Polymerization with a Membrane-Activated Switch.
Science, 345, 2014
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2XK1
 | | Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor | | Descriptor: | COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, SULFATE ION, ... | | Authors: | Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | | Deposit date: | 2010-07-07 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein Inhibitors
Acs Med.Chem.Lett., 2, 2011
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8RU0
 | | Structure of the undecorated barbed end of F-actin. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | | Deposit date: | 2024-01-29 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
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2XJ8
 | | The structure of ferrous cytochrome c peroxidase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2010-07-02 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Nature of the ferryl heme in compounds I and II.
J. Biol. Chem., 286, 2011
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4UUN
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6JWQ
 | | Crystal structure of Plasmodium falciparum HPPK-DHPS wild type | | Descriptor: | 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Yuthavong, Y. | | Deposit date: | 2019-04-21 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
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8RQP
 | | In meso structure of the alginate exporter, AlgE, from Pseudomonas aeruginosa in 7.10 monoacylglycerol | | Descriptor: | 7.10 monoacylglycerol (R-form), 7.10 monoacylglycerol (S-form), Alginate production protein AlgE, ... | | Authors: | Smithers, L, Boland, C, Krawinski, P, Caffrey, M. | | Deposit date: | 2024-01-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins.
Cryst.Growth Des., 24, 2024
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8RQR
 | | In meso structure of apolipoprotein N-acyltransferase, Lnt, from Escherichia coli in 7.10 monoacylglycerol | | Descriptor: | 7.10 monoacylglycerol (S-form), Apolipoprotein N-acyltransferase, GLYCEROL | | Authors: | Smithers, L, Boland, C, Krawinski, P, Caffrey, M. | | Deposit date: | 2024-01-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins.
Cryst.Growth Des., 24, 2024
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2XI6
 | | The structure of ascorbate peroxidase Compound I | | Descriptor: | ASCORBATE PEROXIDASE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2010-06-29 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Nature of the ferryl heme in compounds I and II.
J. Biol. Chem., 286, 2011
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2XIH
 | | The structure of ascorbate peroxidase Compound III | | Descriptor: | ASCORBATE PEROXIDASE, OXYGEN MOLECULE, POTASSIUM ION, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2010-06-29 | | Release date: | 2010-07-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Nature of the ferryl heme in compounds I and II.
J. Biol. Chem., 286, 2011
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4WBX
 | | Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data | | Descriptor: | 2-keto acid:ferredoxin oxidoreductase subunit alpha | | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2014-09-04 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4WDF
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4WE6
 | | The crystal structure of hemagglutinin HA1 domain from influenza virus A/Perth/142/2007(H3N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin HA1 chain | | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J. | | Deposit date: | 2014-09-09 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
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4V3R
 | | Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | | Descriptor: | MAGNESIUM ION, YIII_M5_AII | | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
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2XF0
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2XFX
 | | cattle MHC class I N01301 presenting an 11mer from Theileria parva | | Descriptor: | BETA-2-MICROGLOBULIN, MHC CLASS 1, UNCHARACTERIZED PROTEIN | | Authors: | Macdonald, I.K, Harkiolaki, M, Hunt, L, Morrison, W.I, Connelley, T, Graham, S.P, Jones, E.Y, Flower, D.R, Ellis, S.A. | | Deposit date: | 2010-05-28 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mhc Class I Bound to an Immunodominant Theileria Parva Epitope Demonstrates Unconventional Presentation to T Cell Receptors.
Plos Pathog., 6, 2010
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8R7G
 | | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | | Deposit date: | 2023-11-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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2XJD
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4WDH
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4URA
 | | Crystal structure of human JMJD2A in complex with compound 14a | | Descriptor: | 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2014-06-27 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
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8RQQ
 | | In meso structure of the adenosine A2a G protein-coupled receptor, A2aR, in 7.10 monoacylglycerol | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, 7.10 monoacylglycerol (R-form), 7.10 monoacylglycerol (S-form), ... | | Authors: | Smithers, L, Krawinski, P, Caffrey, M. | | Deposit date: | 2024-01-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins.
Cryst.Growth Des., 24, 2024
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2XJ6
 | | The structure of ferrous ascorbate peroxidase | | Descriptor: | ASCORBATE PEROXIDASE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2010-07-02 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nature of the ferryl heme in compounds I and II.
J. Biol. Chem., 286, 2011
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4UUD
 | | Human dynamin 1 K44A superconstricted polymer stabilized with GTP | | Descriptor: | DYNAMIN-1 | | Authors: | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (12.5 Å) | | Cite: | A Dynamin Mutant Defines a Superconstricted Prefission State.
Cell Rep., 8, 2014
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