1GR3
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![BU of 1gr3 by Molmil](/molmil-images/mine/1gr3) | Structure of the human collagen X NC1 trimer | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, COLLAGEN X, ... | Authors: | Bogin, O, Kvansakul, M, Rom, E, Singer, J, Yayon, A, Hohenester, E. | Deposit date: | 2001-12-12 | Release date: | 2002-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight Into Schmid Metaphyseal Chondrodysplasia from the Crystal Structure of the Collagen X Nc1 Domain Trimer. Structure, 10, 2002
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1H4F
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![BU of 1h4f by Molmil](/molmil-images/mine/1h4f) | E. COLI BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I K328R | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Mcguire, K.A, Henriksen, A. | Deposit date: | 2003-02-26 | Release date: | 2004-03-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases. FEBS J., 273, 2006
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7BJS
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![BU of 7bjs by Molmil](/molmil-images/mine/7bjs) | Crystal structure of Khc/atypical Tm1 complex | Descriptor: | Kinesin heavy chain, SD21996p | Authors: | Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J. | Deposit date: | 2021-01-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex. Genes Dev., 35, 2021
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7BJN
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![BU of 7bjn by Molmil](/molmil-images/mine/7bjn) | Crystal structure of atypical Tm1 (Tm1-I/C), residues 270-334 | Descriptor: | SD21996p | Authors: | Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J. | Deposit date: | 2021-01-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex. Genes Dev., 35, 2021
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7BJG
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![BU of 7bjg by Molmil](/molmil-images/mine/7bjg) | Crystal structure of atypical Tm1 (Tm1-I/C), residues 262-363 | Descriptor: | SD21996p | Authors: | Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J. | Deposit date: | 2021-01-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex. Genes Dev., 35, 2021
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5G4J
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![BU of 5g4j by Molmil](/molmil-images/mine/5g4j) | Phospholyase A1RDF1 from Arthrobacter in complex with phosphoethanolamine | Descriptor: | PUTATIVE AMINOTRANSFERASE CLASS III PROTEIN, SODIUM ION, {5-hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate | Authors: | Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue. Chembiochem, 17, 2016
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6T5P
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![BU of 6t5p by Molmil](/molmil-images/mine/6t5p) | Human Carbonic anhydrase XII bound by 3,5-Di-tert-butylbenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 3,5-di~{tert}-butylbenzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-10-16 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
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3L6C
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![BU of 3l6c by Molmil](/molmil-images/mine/3l6c) | X-ray crystal structure of rat serine racemase in complex with malonate a potent inhibitor | Descriptor: | MALONATE ION, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Smith, M.A, Mack, V, Ebneth, A, Moraes, I, Felicetti, B, Wood, M, Schonfeld, D, Mather, O, Cesura, A, Barker, J. | Deposit date: | 2009-12-23 | Release date: | 2010-01-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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5DIU
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![BU of 5diu by Molmil](/molmil-images/mine/5diu) | The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | Authors: | Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. | Deposit date: | 2015-09-01 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J.Med.Chem., 59, 2016
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6TI5
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![BU of 6ti5 by Molmil](/molmil-images/mine/6ti5) | A New Structural Model of Abeta(1-40) Fibrils | Descriptor: | Amyloid-beta precursor protein | Authors: | Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A. | Deposit date: | 2019-11-21 | Release date: | 2020-07-22 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
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6TI6
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![BU of 6ti6 by Molmil](/molmil-images/mine/6ti6) | Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | Descriptor: | Amyloid-beta precursor protein | Authors: | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | Deposit date: | 2019-11-21 | Release date: | 2020-07-22 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
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5HBH
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![BU of 5hbh by Molmil](/molmil-images/mine/5hbh) | CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide | Descriptor: | 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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2OER
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![BU of 2oer by Molmil](/molmil-images/mine/2oer) | Probable Transcriptional Regulator from Pseudomonas aeruginosa | Descriptor: | Probable transcriptional regulator | Authors: | Kim, Y, Skarina, T, Kagan, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-12-31 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Probable Transcriptional Regulator from Pseudomonas aeruginosa To be Published
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2OF7
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![BU of 2of7 by Molmil](/molmil-images/mine/2of7) | Structural Genomics, the crystal structure of a tetR-family transcriptional regulator from Streptomyces coelicolor A3 | Descriptor: | Putative tetR-family transcriptional regulator | Authors: | Tan, K, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-01-02 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of a tetR-family transcriptional regulator from Streptomyces coelicolor A3 To be Published
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6T4P
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![BU of 6t4p by Molmil](/molmil-images/mine/6t4p) | Human Carbonic anhydrase II bound by napthalene-1-sulfonamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-10-14 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
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3LVL
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![BU of 3lvl by Molmil](/molmil-images/mine/3lvl) | Crystal Structure of E.coli IscS-IscU complex | Descriptor: | Cysteine desulfurase, NifU-like protein, PYRIDOXAL-5'-PHOSPHATE | Authors: | Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2010-02-22 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions. Plos Biol., 8, 2010
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2PHN
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![BU of 2phn by Molmil](/molmil-images/mine/2phn) | Crystal structure of an amide bond forming F420-gamma glutamyl ligase from Archaeoglobus fulgidus | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, F420-0:gamma-glutamyl ligase, ... | Authors: | Nocek, B, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-11 | Release date: | 2007-05-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of an Amide Bond Forming F(420):gammagamma-glutamyl Ligase from Archaeoglobus Fulgidus - A Member of a New Family of Non-ribosomal Peptide Synthases. J.Mol.Biol., 372, 2007
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3LY8
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![BU of 3ly8 by Molmil](/molmil-images/mine/3ly8) | |
7BJT
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![BU of 7bjt by Molmil](/molmil-images/mine/7bjt) | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | Descriptor: | Alginate lyase, family PL17, CALCIUM ION, ... | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | Deposit date: | 2021-01-14 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT. Glycobiology, 31, 2021
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5H5Q
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![BU of 5h5q by Molmil](/molmil-images/mine/5h5q) | Crystal structure of human GPX4 in complex with GXpep-1 | Descriptor: | GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ... | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | Deposit date: | 2016-11-09 | Release date: | 2016-12-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis Biochem. Biophys. Res. Commun., 482, 2017
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7BM6
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![BU of 7bm6 by Molmil](/molmil-images/mine/7bm6) | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid, Alginate lyase, family PL17, ... | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | Deposit date: | 2021-01-19 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT. Glycobiology, 31, 2021
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3LIN
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![BU of 3lin by Molmil](/molmil-images/mine/3lin) | crystal structure of HTLV protease complexed with the inhibitor, KNI-10562 | Descriptor: | N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide, Protease | Authors: | Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. | Deposit date: | 2010-01-25 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
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3LK7
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![BU of 3lk7 by Molmil](/molmil-images/mine/3lk7) | The Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate (MurD) ligase from Streptococcus agalactiae to 1.5A | Descriptor: | CHLORIDE ION, SULFATE ION, UDP-N-acetylmuramoylalanine--D-glutamate ligase | Authors: | Stein, A.J, Sather, A, Shakelford, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-27 | Release date: | 2010-02-09 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate (MurD) ligase from Streptococcus agalactiae to 1.5A To be Published
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6TCA
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![BU of 6tca by Molmil](/molmil-images/mine/6tca) | Phosphorylated p38 and MAPKAPK2 complex with inhibitor | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | Authors: | Sok, P, Remenyi, A. | Deposit date: | 2019-11-05 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases. Structure, 28, 2020
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2BMC
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![BU of 2bmc by Molmil](/molmil-images/mine/2bmc) | Aurora-2 T287D T288D complexed with PHA-680632 | Descriptor: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | Authors: | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | Deposit date: | 2005-03-11 | Release date: | 2005-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition. J.Med.Chem., 48, 2005
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