4NHT
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![BU of 4nht by Molmil](/molmil-images/mine/4nht) | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (6 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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5KJK
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![BU of 5kjk by Molmil](/molmil-images/mine/5kjk) | SMYD2 in complex with AZ370 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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8BAR
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8BAS
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![BU of 8bas by Molmil](/molmil-images/mine/8bas) | E. coli C7 DarT1 in complex with carba-NAD and DNA | Descriptor: | 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*AP*GP*AP*C)-3'), ... | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8BAT
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![BU of 8bat by Molmil](/molmil-images/mine/8bat) | Geobacter lovleyi NADAR | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Geobacter lovleyi NADAR | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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7LVK
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![BU of 7lvk by Molmil](/molmil-images/mine/7lvk) | Cfr-modified 50S subunit from Escherichia coli | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Stojkovic, V, Myasnikov, A.G, Frost, A, Fujimori, D.G. | Deposit date: | 2021-02-25 | Release date: | 2021-12-15 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Investigating antibiotic resistance of a ribosomal-RNA methylating enzyme through directed evolution To Be Published
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2XF3
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![BU of 2xf3 by Molmil](/molmil-images/mine/2xf3) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-05-20 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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8BAQ
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![BU of 8baq by Molmil](/molmil-images/mine/8baq) | E. coli C7 DarT1 in complex with NAD+ | Descriptor: | 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8BAU
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![BU of 8bau by Molmil](/molmil-images/mine/8bau) | Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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2GN5
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5LJL
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![BU of 5ljl by Molmil](/molmil-images/mine/5ljl) | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | Descriptor: | Flavodoxin, PHOSPHATE ION | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | Deposit date: | 2016-07-18 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target. Plos One, 11, 2016
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5KJL
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![BU of 5kjl by Molmil](/molmil-images/mine/5kjl) | SMYD2 in complex with AZ378 | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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3MET
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![BU of 3met by Molmil](/molmil-images/mine/3met) | Crystal structure of SGF29 in complex with H3K4me2 | Descriptor: | GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ... | Authors: | Bian, C.B, Xu, C, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-04-28 | Last modified: | 2011-08-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J., 30, 2011
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4NDC
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![BU of 4ndc by Molmil](/molmil-images/mine/4ndc) | X-ray structure of a mutant (T188D) of calexcitin - a neuronal calcium-signalling protein | Descriptor: | CALCIUM ION, Calexcitin | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
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6WI5
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![BU of 6wi5 by Molmil](/molmil-images/mine/6wi5) | |
5DEF
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![BU of 5def by Molmil](/molmil-images/mine/5def) | Crystal structure of B*27:04 complex bound to the pVIPR peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | Authors: | Loll, B, Fabian, H, Huser, H, Hee, C.S, Uchanska-Ziegler, B, Ziegler, A. | Deposit date: | 2015-08-25 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis. Arthritis Rheumatol, 68, 2016
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2XFJ
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![BU of 2xfj by Molmil](/molmil-images/mine/2xfj) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
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2NZC
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![BU of 2nzc by Molmil](/molmil-images/mine/2nzc) | The structure of uncharacterized protein TM1266 from Thermotoga maritima. | Descriptor: | ACETIC ACID, GLYCEROL, Hypothetical protein, ... | Authors: | Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-11-22 | Release date: | 2006-12-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structure of uncharacterized protein TM1266 from Thermotoga maritima. TO BE PUBLISHED
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6WXC
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![BU of 6wxc by Molmil](/molmil-images/mine/6wxc) | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil | Descriptor: | 1,2-ETHANEDIOL, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, FORMIC ACID, ... | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-05-10 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2. Commun Biol, 4, 2021
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2O1Z
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![BU of 2o1z by Molmil](/molmil-images/mine/2o1z) | Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155) | Descriptor: | FE (III) ION, Ribonucleotide Reductase Subunit R2, UNKNOWN ATOM OR ION | Authors: | Dong, A, Tempel, W, Qiu, W, Lew, J, Wernimont, A.K, Lin, Y.H, Hassanali, A, Melone, M, Zhao, Y, Nordlund, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-29 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155) To be Published
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2XC7
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![BU of 2xc7 by Molmil](/molmil-images/mine/2xc7) | Solution Structure of PHAX-RBD in complex with ssRNA | Descriptor: | 5'-(AP*UP*CP*GP)-3', PHOSPHORYLATED ADAPTER RNA EXPORT PROTEIN | Authors: | Mourao, A, Mackereth, C.D, Varrot, A, Cusack, S, Sattler, M. | Deposit date: | 2010-04-18 | Release date: | 2010-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and RNA Recognition by the Snrna and Snorna Transport Factor Phax. RNA, 16, 2010
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2XTS
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![BU of 2xts by Molmil](/molmil-images/mine/2xts) | Crystal Structure of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus | Descriptor: | CALCIUM ION, COBALT (II) ION, CYTOCHROME, ... | Authors: | Zander, U, Faust, A, Klink, B.U, de Sanctis, D, Panjikar, S, Quentmeier, A, Bardischewski, F, Friedrich, C.G, Scheidig, A.J. | Deposit date: | 2010-10-12 | Release date: | 2010-12-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural Basis for the Oxidation of Protein-Bound Sulfur by the Sulfur Cycle Molybdohemo-Enzyme Sulfane Dehydrogenase Soxcd. J.Biol.Chem., 286, 2011
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4OHV
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![BU of 4ohv by Molmil](/molmil-images/mine/4ohv) | C. Elegans Clp1 bound to AMP-PNP, and Mg2+ | Descriptor: | MAGNESIUM ION, NONAETHYLENE GLYCOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A. | Deposit date: | 2014-01-18 | Release date: | 2014-05-14 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1. Mol.Cell, 54, 2014
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5LIG
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![BU of 5lig by Molmil](/molmil-images/mine/5lig) | G-Quadruplex formed at the 5'-end of NHEIII_1 Element in human c-MYC promoter bound to triangulenium based fluorescence probe DAOTA-M2 | Descriptor: | 8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate, DNA (5'-D(*TP*AP*GP*GP*GP*AP*GP*GP*GP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3') | Authors: | Kotar, A, Wang, B, Shivalingam, A, Gonzalez-Garcia, J, Vilar, R, Plavec, J. | Deposit date: | 2016-07-14 | Release date: | 2016-09-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure of a Triangulenium-Based Long-Lived Fluorescence Probe Bound to a G-Quadruplex. Angew.Chem.Int.Ed.Engl., 55, 2016
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4ONF
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![BU of 4onf by Molmil](/molmil-images/mine/4onf) | Fab fragment of 3D6 in complex with amyloid beta 1-7 | Descriptor: | 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein | Authors: | Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S. | Deposit date: | 2014-01-28 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab. Alzheimers Res Ther, 6, 2014
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