4CBY
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![BU of 4cby by Molmil](/molmil-images/mine/4cby) | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | Descriptor: | (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | Deposit date: | 2013-10-17 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J. Med. Chem., 56, 2013
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4F8Z
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![BU of 4f8z by Molmil](/molmil-images/mine/4f8z) | Carboxypeptidase T with Boc-Leu | Descriptor: | CALCIUM ION, Carboxypeptidase T, GLYCEROL, ... | Authors: | Timofeev, V.I, Kuznetsov, S.A, Akparov, V.K, Kuranova, I.P. | Deposit date: | 2012-05-18 | Release date: | 2013-05-22 | Last modified: | 2015-09-30 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Three-dimensional structure of carboxypeptidase T from Thermoactinomyces vulgaris in complex with N-BOC-L-leucine. Biochemistry Mosc., 78, 2013
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5MEK
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![BU of 5mek by Molmil](/molmil-images/mine/5mek) | Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP) | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Cytosolic sulfotransferase 18, ... | Authors: | Hirschmann, F, Krause, F, Baruch, P, Chizhov, I, Mueller, J.W, Manstein, D.J, Papenbrock, J, Fedorov, R. | Deposit date: | 2016-11-15 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and biochemical studies of sulphotransferase 18 from Arabidopsis thaliana explain its substrate specificity and reaction mechanism. Sci Rep, 7, 2017
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1S1C
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![BU of 1s1c by Molmil](/molmil-images/mine/1s1c) | Crystal structure of the complex between the human RhoA and Rho-binding domain of human ROCKI | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rho-associated, ... | Authors: | Dvorsky, R, Blumenstein, L, Vetter, I.R, Ahmadian, M.R. | Deposit date: | 2004-01-06 | Release date: | 2004-02-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into the Interaction of ROCKI with the Switch Regions of RhoA. J.Biol.Chem., 279, 2004
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7AB6
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![BU of 7ab6 by Molmil](/molmil-images/mine/7ab6) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T variant | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-09-06 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
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7RFB
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![BU of 7rfb by Molmil](/molmil-images/mine/7rfb) | Crystal structure of broadly neutralizing antibody mAb1198 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Flyak, A.I, Bjorkman, P.J. | Deposit date: | 2021-07-14 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Analysis of antibodies from HCV elite neutralizers identifies genetic determinants of broad neutralization. Immunity, 55, 2022
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2DCU
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![BU of 2dcu by Molmil](/molmil-images/mine/2dcu) | Crystal structure of translation initiation factor aIF2betagamma heterodimer with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Translation initiation factor 2 beta subunit, ... | Authors: | Sokabe, M, Yao, M, Sakai, N, Toya, S, Tanaka, I. | Deposit date: | 2006-01-16 | Release date: | 2006-07-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of archaeal translational initiation factor 2 betagamma-GDP reveals significant conformational change of the beta-subunit and switch 1 region. Proc.Natl.Acad.Sci.USA, 103, 2006
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5MQ1
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![BU of 5mq1 by Molmil](/molmil-images/mine/5mq1) | Crystal structure of the BRD7 bromodomain in complex with BI-9564 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7, ... | Authors: | Diaz-Saez, L, Martin, L.J, Panagakou, I, Picaud, S, Krojer, T, von Delft, F, Knapp, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-19 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the BRD7 bromodomain in complex with BI-9564 To Be Published
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6TU4
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![BU of 6tu4 by Molmil](/molmil-images/mine/6tu4) | Structure of Plasmodium Actin1 filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | Authors: | Vahokoski, J, Calder, L.J, Lopez, A.J, Rosenthal, P.B, Kursula, I. | Deposit date: | 2020-01-02 | Release date: | 2021-01-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | High-resolution structures of malaria parasite actomyosin and actin filaments. Plos Pathog., 18, 2022
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1RXC
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![BU of 1rxc by Molmil](/molmil-images/mine/1rxc) | E. COLI uridine phosphorylase: 5-fluorouracil ribose-1-phosphate complex | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, 5-FLUOROURACIL, 5-FLUOROURIDINE, ... | Authors: | Caradoc-Davies, T.T, Cutfield, S.M, Lamont, I.L, Cutfield, J.F. | Deposit date: | 2003-12-18 | Release date: | 2004-04-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium J.Mol.Biol., 337, 2004
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7RFC
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![BU of 7rfc by Molmil](/molmil-images/mine/7rfc) | |
7A4L
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![BU of 7a4l by Molmil](/molmil-images/mine/7a4l) | PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1 | Descriptor: | IRON/SULFUR CLUSTER, PioC | Authors: | Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M. | Deposit date: | 2020-08-19 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems. Febs J., 288, 2021
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6TEK
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![BU of 6tek by Molmil](/molmil-images/mine/6tek) | Structure of siderophore interaction domain of IrtAB | Descriptor: | Drug ABC transporter ATP-binding protein, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Arnold, F.M, Gonda, I, Hutter, C.A.J, Seeger, M.A, Hurlimann, L.M. | Deposit date: | 2019-11-12 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The ABC exporter IrtAB imports and reduces mycobacterial siderophores. Nature, 580, 2020
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6ZV9
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![BU of 6zv9 by Molmil](/molmil-images/mine/6zv9) | Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W) | Descriptor: | 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE | Authors: | Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C. | Deposit date: | 2020-07-24 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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1H29
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![BU of 1h29 by Molmil](/molmil-images/mine/1h29) | Sulfate respiration in Desulfovibrio vulgaris Hildenborough: Structure of the 16-heme Cytochrome c HmcA at 2.5 A resolution and a view of its role in transmembrane electron transfer | Descriptor: | HEME C, HIGH-MOLECULAR-WEIGHT CYTOCHROME C | Authors: | Matias, P.M, Coelho, A.V, Valente, F.M.A, Placido, D, Legall, J, Xavier, A.V, Pereira, I.A.C, Carrondo, M.A. | Deposit date: | 2002-08-01 | Release date: | 2002-10-02 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Sulfate Respiration in Desulfovibrio Vulgaris Hildenborough: Structure of the 16-Heme Cytochrome C Hmca at 2.5 A Resolution and a View of its Role in Transmembrane Electron Transfer J.Biol.Chem., 277, 2002
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5NAQ
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1S5F
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![BU of 1s5f by Molmil](/molmil-images/mine/1s5f) | Cholera holotoxin, Crystal form 2 | Descriptor: | Cholera enterotoxin, A chain, SODIUM ION, ... | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | Deposit date: | 2004-01-20 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism Biochemistry, 43, 2004
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1HDB
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![BU of 1hdb by Molmil](/molmil-images/mine/1hdb) | ANALYSIS OF THE CRYSTAL STRUCTURE, MOLECULAR MODELING AND INFRARED SPECTROSCOPY OF THE DISTAL BETA-HEME POCKET VALINE67(E11)-THREONINE MUTATION OF HEMOGLOBIN | Descriptor: | HEMOGLOBIN (DEOXY) BETA-V67T, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Pechik, I, Ji, X, Fronticelli, C, Gilliland, G.L. | Deposit date: | 1995-04-14 | Release date: | 1996-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin. Biochemistry, 35, 1996
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6RWD
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![BU of 6rwd by Molmil](/molmil-images/mine/6rwd) | Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution | Descriptor: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, CHLORIDE ION, GLUTATHIONE, ... | Authors: | Olfsen, J, Pandian, R, Sayed, Y, Dirr, H.W, Achilonu, I.A. | Deposit date: | 2019-06-04 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies. Mol.Biochem.Parasitol., 240, 2020
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6RHQ
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![BU of 6rhq by Molmil](/molmil-images/mine/6rhq) | Crystal Structure of Two-Domain Laccase mutant I170A from Streptomyces griseoflavus | Descriptor: | COPPER (II) ION, GLYCEROL, SULFATE ION, ... | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | Deposit date: | 2019-04-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993. Int J Mol Sci, 20, 2019
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6L37
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![BU of 6l37 by Molmil](/molmil-images/mine/6l37) | X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization | Descriptor: | 2-chloro-5-nitro-N-phenylbenzamide, 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-10-09 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6D2V
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![BU of 6d2v by Molmil](/molmil-images/mine/6d2v) | Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway | Descriptor: | CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ... | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2018-04-14 | Release date: | 2018-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
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5N7N
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![BU of 5n7n by Molmil](/molmil-images/mine/5n7n) | CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1) | Descriptor: | AMMONIUM ION, Putative cathepsin d, SULFATE ION | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | Deposit date: | 2017-02-21 | Release date: | 2017-12-27 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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6APK
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![BU of 6apk by Molmil](/molmil-images/mine/6apk) | Trans-acting transferase from Disorazole synthase solved by serial femtosecond XFEL crystallography | Descriptor: | DisD protein | Authors: | Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Khosla, C, Soltis, S.M, Cohen, A.E. | Deposit date: | 2017-08-17 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography. Biochemistry, 56, 2017
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1SAC
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![BU of 1sac by Molmil](/molmil-images/mine/1sac) | THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT | Descriptor: | ACETIC ACID, CALCIUM ION, SERUM AMYLOID P COMPONENT | Authors: | White, H.E, Emsley, J, O'Hara, B.P, Oliva, G, Srinivasan, N, Tickle, I.J, Blundell, T.L, Pepys, M.B, Wood, S.P. | Deposit date: | 1994-01-27 | Release date: | 1994-05-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of pentameric human serum amyloid P component. Nature, 367, 1994
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