6GCT
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![BU of 6gct by Molmil](/molmil-images/mine/6gct) | cryo-EM structure of the human neutral amino acid transporter ASCT2 | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0) | Authors: | Garaeva, A.A, Oostergetel, G.T, Gati, C, Guskov, A, Paulino, C, Slotboom, D.J. | Deposit date: | 2018-04-19 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Cryo-EM structure of the human neutral amino acid transporter ASCT2. Nat. Struct. Mol. Biol., 25, 2018
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5J8H
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![BU of 5j8h by Molmil](/molmil-images/mine/5j8h) | Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase | Descriptor: | CALCIUM ION, Calmodulin, Eukaryotic elongation factor 2 kinase | Authors: | Alphonse, S, Lee, K, Piserchio, A, Tavares, C.D.J, Giles, D.H, Wellmann, R.M, Dalby, K.N, Ghose, R. | Deposit date: | 2016-04-07 | Release date: | 2016-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin. Structure, 24, 2016
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4N2C
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![BU of 4n2c by Molmil](/molmil-images/mine/4n2c) | Crystal structure of Protein Arginine Deiminase 2 (F221/222A, 10 mM Ca2+) | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.022 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4O1Z
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![BU of 4o1z by Molmil](/molmil-images/mine/4o1z) | Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J. | Deposit date: | 2013-12-16 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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8DAJ
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![BU of 8daj by Molmil](/molmil-images/mine/8daj) | Structure and Biochemistry of a Promiscuous Thermophilic Polyhydroxybutyrate Depolymerase from Lihuaxuella thermophilia | Descriptor: | 1,2-ETHANEDIOL, Esterase, PHB depolymerase family, ... | Authors: | Thomas, G.M, Quirk, S, Huard, D.J.E, Lieberman, R.L. | Deposit date: | 2022-06-13 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Bioplastic degradation by a polyhydroxybutyrate depolymerase from a thermophilic soil bacterium. Protein Sci., 31, 2022
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6GQQ
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![BU of 6gqq by Molmil](/molmil-images/mine/6gqq) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GYE
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![BU of 6gye by Molmil](/molmil-images/mine/6gye) | Crystal structure of NadR protein in complex with NR | Descriptor: | Nicotinamide riboside, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, SULFATE ION | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-06-29 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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6GUF
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![BU of 6guf by Molmil](/molmil-images/mine/6guf) | CDK2/CyclinA in complex with CGP74514A | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GZO
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![BU of 6gzo by Molmil](/molmil-images/mine/6gzo) | Crystal structure of NadR protein in complex with NAD and AMP-PNP | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, PHOSPHATE ION, ... | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-07-04 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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6ITC
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![BU of 6itc by Molmil](/molmil-images/mine/6itc) | Structure of a substrate engaged SecA-SecY protein translocation machine | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Ma, C.Y, Wu, X.F, Sun, D.J, Park, E.Y, Rapoport, T.A, Gao, N, Long, L. | Deposit date: | 2018-11-21 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure of the substrate-engaged SecA-SecY protein translocation machine. Nat Commun, 10, 2019
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4NGC
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![BU of 4ngc by Molmil](/molmil-images/mine/4ngc) | |
4NH6
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![BU of 4nh6 by Molmil](/molmil-images/mine/4nh6) | |
4NEC
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![BU of 4nec by Molmil](/molmil-images/mine/4nec) | Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis | Descriptor: | 2-CARBOXYQUINOXALINE, ACETATE ION, Echinomycin, ... | Authors: | Hotta, K, Keegan, R.M, Ranganathan, S, Fang, M, Bibby, J, Winn, M.D, Sato, M, Lian, M, Watanabe, K, Rigden, D.J, Kim, C.-Y. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NGF
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![BU of 4ngf by Molmil](/molmil-images/mine/4ngf) | |
4POV
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![BU of 4pov by Molmil](/molmil-images/mine/4pov) | ThiT with LMG135 bound | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde, CHLORIDE ION, ... | Authors: | Swier, L.J.Y.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2014-02-26 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Potent Small-Molecule Binders to the S-Component of the ECF Transporter for Thiamine. Chembiochem, 16, 2015
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4PPS
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![BU of 4pps by Molmil](/molmil-images/mine/4pps) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative | Descriptor: | (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | Deposit date: | 2014-02-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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4PHJ
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![BU of 4phj by Molmil](/molmil-images/mine/4phj) | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids: Human unliganded protein | Descriptor: | CALCIUM ION, Calpain small subunit 1 | Authors: | Adams, S.E, Rizkallah, P.J, Allemann, R.K, Miller, D.J, Hallett, M.B, Robinson, E. | Deposit date: | 2014-05-06 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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6HBW
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![BU of 6hbw by Molmil](/molmil-images/mine/6hbw) | |
4PPP
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![BU of 4ppp by Molmil](/molmil-images/mine/4ppp) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol | Descriptor: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | Deposit date: | 2014-02-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife, 3, 2014
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6HJP
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6HQN
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![BU of 6hqn by Molmil](/molmil-images/mine/6hqn) | Crystal structure of GcoA F169L bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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4O8V
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![BU of 4o8v by Molmil](/molmil-images/mine/4o8v) | O-Acetyltransferase Domain of Pseudomonas putida AlgJ | Descriptor: | Alginate biosynthesis protein AlgJ | Authors: | Ricer, T, Little, D.J, Whitney, J.C, Robinson, H, Howell, P.L. | Deposit date: | 2013-12-30 | Release date: | 2014-10-01 | Method: | X-RAY DIFFRACTION (1.815 Å) | Cite: | P. aeruginosa SGNH Hydrolase-Like Proteins AlgJ and AlgX Have Similar Topology but Separate and Distinct Roles in Alginate Acetylation. Plos Pathog., 10, 2014
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1T1F
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![BU of 1t1f by Molmil](/molmil-images/mine/1t1f) | Crystal Structure of Native Antithrombin in its Monomeric Form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, GLYCEROL, ... | Authors: | Johnson, D.J.D, Huntington, J.A. | Deposit date: | 2004-04-16 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation J.Biol.Chem., 281, 2006
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4QEO
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![BU of 4qeo by Molmil](/molmil-images/mine/4qeo) | crystal structure of KRYPTONITE in complex with mCHH DNA, H3(1-15) peptide and SAH | Descriptor: | DNA 5'-ACTGATGAGTACCAT-3', DNA 5'-GGTACT(5CM)ATCAGTAT-3', Histone H3, ... | Authors: | Du, J, Li, S, Patel, D.J. | Deposit date: | 2014-05-17 | Release date: | 2014-07-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of DNA Methylation-Directed Histone Methylation by KRYPTONITE. Mol.Cell, 55, 2014
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4PGM
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![BU of 4pgm by Molmil](/molmil-images/mine/4pgm) | |