4QJX
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![BU of 4qjx by Molmil](/molmil-images/mine/4qjx) | Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-06-05 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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4QJO
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![BU of 4qjo by Molmil](/molmil-images/mine/4qjo) | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-06-04 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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2VRR
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![BU of 2vrr by Molmil](/molmil-images/mine/2vrr) | Structure of SUMO modified Ubc9 | Descriptor: | FORMIC ACID, SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, ... | Authors: | Knipscheer, P, Flotho, A, Klug, H, Olsen, J.V, van Dijk, W.J, Fish, A, Johnson, E.S, Mann, M, Sixma, T.K, Pichler, A. | Deposit date: | 2008-04-13 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Ubc9 sumoylation regulates SUMO target discrimination. Mol. Cell, 31, 2008
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1NJK
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![BU of 1njk by Molmil](/molmil-images/mine/1njk) | Crystal Structure of YbaW Probable Thioesterase from Escherichia coli | Descriptor: | Hypothetical protein ybaW, IODIDE ION | Authors: | Kim, Y, Joachimiak, A, Edwards, A, Xu, X, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-12-31 | Release date: | 2003-07-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Escherichia coli Hypothetical Protein YbaW To be Published
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4NDB
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![BU of 4ndb by Molmil](/molmil-images/mine/4ndb) | X-ray structure of a mutant (T61D) 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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4NWF
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![BU of 4nwf by Molmil](/molmil-images/mine/4nwf) | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y. | Deposit date: | 2013-12-06 | Release date: | 2014-12-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation To be Published
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1XYE
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![BU of 1xye by Molmil](/molmil-images/mine/1xye) | T-to-THigh Transitions in Human Hemoglobin: alpha Y42A deoxy low salt | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | Deposit date: | 2004-11-09 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin Biochemistry, 44, 2005
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2Q9M
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![BU of 2q9m by Molmil](/molmil-images/mine/2q9m) | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | Descriptor: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | Deposit date: | 2007-06-13 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity J.Med.Chem., 50, 2007
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4NXJ
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![BU of 4nxj by Molmil](/molmil-images/mine/4nxj) | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum | Descriptor: | Bromodomain protein | Authors: | Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-09 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum TO BE PUBLISHED
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4NHS
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![BU of 4nhs by Molmil](/molmil-images/mine/4nhs) | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (9 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 (1.99 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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4NIJ
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![BU of 4nij by Molmil](/molmil-images/mine/4nij) | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-06 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.86 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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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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3CAJ
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![BU of 3caj by Molmil](/molmil-images/mine/3caj) | Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2008-02-20 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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4NAL
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![BU of 4nal by Molmil](/molmil-images/mine/4nal) | Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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6ES4
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![BU of 6es4 by Molmil](/molmil-images/mine/6es4) | A cryptic RNA-binding domain mediates Syncrip recognition and exosomal partitioning of miRNA targets | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Syncrip, ... | Authors: | Hobor, F, Dallmann, A, Ball, N.J, Cicchini, C, Battistelli, C, Ogrodowicz, R.W, Christodoulou, E, Martin, S.R, Castello, A, Tripodi, M, Taylor, I.A, Ramos, A. | Deposit date: | 2017-10-19 | Release date: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cryptic RNA-binding domain mediates Syncrip recognition and exosomal partitioning of miRNA targets. Nat Commun, 9, 2018
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4MUA
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![BU of 4mua by Molmil](/molmil-images/mine/4mua) | Schistosoma mansoni (Blood Fluke) Sulfotransferase | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | Deposit date: | 2013-09-21 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites. Science, 342, 2013
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1Q7H
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![BU of 1q7h by Molmil](/molmil-images/mine/1q7h) | Structure of a Conserved PUA Domain Protein from Thermoplasma acidophilum | Descriptor: | ZINC ION, conserved hypothetical protein | Authors: | Cuff, M.E, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-08-18 | Release date: | 2004-01-20 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a conserved hypothetical protein from T. acidophilum TO BE PUBLISHED
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4N18
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![BU of 4n18 by Molmil](/molmil-images/mine/4n18) | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CITRIC ACID, D-isomer specific 2-hydroxyacid dehydrogenase family protein | Authors: | Bacal, P, Shabalin, I.G, Cooper, D.R, Majorek, K.A, Osinski, T, Hillerich, B.S, Hammonds, J, Nawar, A, Stead, M, Chowdhury, S, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-10-03 | Release date: | 2013-10-16 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342 To be Published
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4NAK
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![BU of 4nak by Molmil](/molmil-images/mine/4nak) | Arabidopsis thaliana IspD in complex with pentabromo-pseudilin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAI
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![BU of 4nai by Molmil](/molmil-images/mine/4nai) | Arabidopsis thaliana IspD apo | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAN
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![BU of 4nan by Molmil](/molmil-images/mine/4nan) | Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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6CQH
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![BU of 6cqh by Molmil](/molmil-images/mine/6cqh) | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-15 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor To Be Published
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4QIY
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![BU of 4qiy by Molmil](/molmil-images/mine/4qiy) | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | Descriptor: | 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | Deposit date: | 2014-06-03 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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4I7Y
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![BU of 4i7y by Molmil](/molmil-images/mine/4i7y) | Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DNA (27-MER), ... | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2012-12-01 | Release date: | 2013-10-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer. Acta Crystallogr.,Sect.D, 69, 2013
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4QJ0
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![BU of 4qj0 by Molmil](/molmil-images/mine/4qj0) | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | Deposit date: | 2014-06-03 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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