5N4G
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5N9N
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![BU of 5n9n by Molmil](/molmil-images/mine/5n9n) | Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF85 (4a) | Descriptor: | (4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | Deposit date: | 2017-02-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals, 11, 2018
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1VEI
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![BU of 1vei by Molmil](/molmil-images/mine/1vei) | Mycobacterium smegmatis Dps | Descriptor: | FE (III) ION, SULFATE ION, starvation-induced DNA protecting protein | Authors: | Roy, S, Gupta, S, Das, S, Sekar, K, Chatterji, D, Vijayan, M. | Deposit date: | 2004-03-31 | Release date: | 2004-06-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | X-ray Analysis of Mycobacterium smegmatis Dps and a Comparative Study Involving Other Dps and Dps-like Molecules J.Mol.Biol., 339, 2004
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5NAK
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![BU of 5nak by Molmil](/molmil-images/mine/5nak) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Taylor, M, Mowat, C.G, Rowland, P. | Deposit date: | 2017-02-28 | Release date: | 2017-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
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6QSW
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![BU of 6qsw by Molmil](/molmil-images/mine/6qsw) | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-02-22 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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5NDJ
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![BU of 5ndj by Molmil](/molmil-images/mine/5ndj) | Crystal structure of aminoglycoside TC007 in complex with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA (soaking) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | Deposit date: | 2017-03-08 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4OG1
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![BU of 4og1 by Molmil](/molmil-images/mine/4og1) | Crystal Structure of a Putative Enoyl-CoA Hydratase from Novosphingobium aromaticivorans DSM 12444 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Enoyl-CoA hydratase/isomerase | Authors: | Chapman, H.C, Cooper, D.R, Tkaczuk, K.L, Cymborowski, M.T, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Alkire, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-01-15 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of a Putative Enoyl-CoA Hydratase from Novosphingobium aromaticivorans DSM 12444 To be Published
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4FEZ
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![BU of 4fez by Molmil](/molmil-images/mine/4fez) | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant. To be Published
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4OYM
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![BU of 4oym by Molmil](/molmil-images/mine/4oym) | Human solAC Complexed with (4-Amino-furazan-3-yl)-(3-methoxy-phenyl)-methanone | Descriptor: | (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone, Adenylate cyclase type 10, GLYCEROL | Authors: | Vinkovic, M. | Deposit date: | 2014-02-12 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
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5NDG
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![BU of 5ndg by Molmil](/molmil-images/mine/5ndg) | Crystal structure of geneticin (G418) bound to the yeast 80S ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | Deposit date: | 2017-03-08 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4OYX
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![BU of 4oyx by Molmil](/molmil-images/mine/4oyx) | Human solAC Complexed with AMPCPP | Descriptor: | Adenylate cyclase type 10, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vinkovic, M. | Deposit date: | 2014-02-13 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
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4YUI
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![BU of 4yui by Molmil](/molmil-images/mine/4yui) | Multiconformer synchrotron model of CypA at 180 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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3C9F
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![BU of 3c9f by Molmil](/molmil-images/mine/3c9f) | Crystal structure of 5'-nucleotidase from Candida albicans SC5314 | Descriptor: | 5'-nucleotidase, FORMIC ACID, SODIUM ION, ... | Authors: | Patskovsky, Y, Romero, R, Gilmore, M, Eberle, M, Bain, K, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-15 | Release date: | 2008-02-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of 5'-nucleotidase from Candida albicans. To be Published
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3CC9
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![BU of 3cc9 by Molmil](/molmil-images/mine/3cc9) | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Putative farnesyl pyrophosphate synthase, SODIUM ION | Authors: | Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-25 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate. To be Published
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5NOZ
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![BU of 5noz by Molmil](/molmil-images/mine/5noz) | Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide | Descriptor: | 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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3UR0
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![BU of 3ur0 by Molmil](/molmil-images/mine/3ur0) | Crystal structures of murine norovirus RNA-dependent RNA polymerase in complex with Suramin | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, RNA-dependent RNA polymerase, SULFATE ION | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2011-11-21 | Release date: | 2012-05-02 | Last modified: | 2012-05-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases. J.Mol.Biol., 419, 2012
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1MHH
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3UT5
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![BU of 3ut5 by Molmil](/molmil-images/mine/3ut5) | Tubulin-Colchicine-Ustiloxin: Stathmin-like domain complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ranaivoson, F.M, Gigant, B, Knossow, M. | Deposit date: | 2011-11-25 | Release date: | 2012-08-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural plasticity of tubulin assembly probed by vinca-domain ligands. Acta Crystallogr.,Sect.D, 68, 2012
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4OD0
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![BU of 4od0 by Molmil](/molmil-images/mine/4od0) | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | Descriptor: | 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | Deposit date: | 2014-01-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
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1VHB
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![BU of 1vhb by Molmil](/molmil-images/mine/1vhb) | BACTERIAL DIMERIC HEMOGLOBIN FROM VITREOSCILLA STERCORARIA | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tarricone, C, Galizzi, A, Coda, A, Ascenzi, P, Bolognesi, M. | Deposit date: | 1997-02-19 | Release date: | 1998-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Unusual structure of the oxygen-binding site in the dimeric bacterial hemoglobin from Vitreoscilla sp. Structure, 5, 1997
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7MNP
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![BU of 7mnp by Molmil](/molmil-images/mine/7mnp) | Crystal Structure of the ZnF2 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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7MNJ
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![BU of 7mnj by Molmil](/molmil-images/mine/7mnj) | Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 145-673) | Descriptor: | E3 SUMO-protein ligase RanBP2 | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Patke, A, Dasso, M, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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5NDD
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![BU of 5ndd by Molmil](/molmil-images/mine/5ndd) | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | Deposit date: | 2017-03-08 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2. Nature, 545, 2017
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7MNI
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![BU of 7mni by Molmil](/molmil-images/mine/7mni) | Crystal structure of the N-terminal domain of NUP88 in complex with NUP98 C-terminal Autoproteolytic Domain | Descriptor: | Nuclear pore complex protein Nup88, Nuclear pore complex protein Nup98 | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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5N2Q
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![BU of 5n2q by Molmil](/molmil-images/mine/5n2q) | MobM Relaxase Domain (MOBV; Mob_Pre) bound to 26nt pMV158 oriT DNA | Descriptor: | CHLORIDE ION, DNA (26-MER), GLYCEROL, ... | Authors: | Russi, S, Boer, D.R, Coll, M. | Deposit date: | 2017-02-08 | Release date: | 2017-04-12 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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