3ALE
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4QG0
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![BU of 4qg0 by Molmil](/molmil-images/mine/4qg0) | Crystal structure of the tetrameric dGTP/dUTP-bound SAMHD1 (RN206) mutant catalytic core | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYURIDINE-5'-TRIPHOSPHATE, ... | Authors: | Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J. | Deposit date: | 2014-05-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates. J.Biol.Chem., 289, 2014
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2WPX
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![BU of 2wpx by Molmil](/molmil-images/mine/2wpx) | Tandem GNAT protein from the clavulanic acid biosynthesis pathway (with AcCoA) | Descriptor: | ACETYL COENZYME *A, GLYCEROL, ORF14 | Authors: | Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J. | Deposit date: | 2009-08-11 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway. Proteins, 78, 2010
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4QG4
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![BU of 4qg4 by Molmil](/molmil-images/mine/4qg4) | Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) mutant catalytic core | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J. | Deposit date: | 2014-05-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates. J.Biol.Chem., 289, 2014
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3AON
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![BU of 3aon by Molmil](/molmil-images/mine/3aon) | Crystal structure of the central axis (NtpD-NtpG) in the catalytic portion of Enterococcus hirae V-type sodium ATPase | Descriptor: | NITRATE ION, V-type sodium ATPase subunit D, V-type sodium ATPase subunit G | Authors: | Saijo, S, Arai, S, Hossain, K.M.M, Yamato, I, Kakinuma, Y, Ishizuka-Katsura, Y, Terada, T, Shirouzu, M, Yokoyama, S, Iwata, S, Murata, T. | Deposit date: | 2010-10-04 | Release date: | 2011-10-05 | Last modified: | 2011-12-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the central axis DF complex of the prokaryotic V-ATPase Proc.Natl.Acad.Sci.USA, 108, 2011
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2WOK
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![BU of 2wok by Molmil](/molmil-images/mine/2wok) | Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with bradykinin | Descriptor: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL, Kininogen-1 | Authors: | Mackenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | Deposit date: | 2009-07-26 | Release date: | 2009-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of an oligopeptide-binding protein from the biosynthetic pathway of the beta-lactamase inhibitor clavulanic acid. J. Mol. Biol., 396, 2010
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3ARQ
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![BU of 3arq by Molmil](/molmil-images/mine/3arq) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with IDARUBICIN | Descriptor: | Chitinase A, GLYCEROL, IDARUBICIN | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | Deposit date: | 2010-12-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
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3AS3
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![BU of 3as3 by Molmil](/molmil-images/mine/3as3) | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran | Descriptor: | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole, Chitinase A, GLYCEROL | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | Deposit date: | 2010-12-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
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2WYJ
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![BU of 2wyj by Molmil](/molmil-images/mine/2wyj) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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3ATK
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![BU of 3atk by Molmil](/molmil-images/mine/3atk) | Crystal structure of trypsin complexed with cycloheptanamine | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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4QPB
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![BU of 4qpb by Molmil](/molmil-images/mine/4qpb) | Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate | Descriptor: | 1,2-ETHANEDIOL, Lysostaphin, ZINC ION | Authors: | Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M. | Deposit date: | 2014-06-22 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans. Febs J., 281, 2014
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3CBK
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![BU of 3cbk by Molmil](/molmil-images/mine/3cbk) | chagasin-cathepsin B | Descriptor: | Cathepsin B, Chagasin | Authors: | Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S. | Deposit date: | 2008-02-22 | Release date: | 2008-05-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B. J.Biol.Chem., 283, 2008
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2X9Z
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![BU of 2x9z by Molmil](/molmil-images/mine/2x9z) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
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2X9Y
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![BU of 2x9y by Molmil](/molmil-images/mine/2x9y) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
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4RVR
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![BU of 4rvr by Molmil](/molmil-images/mine/4rvr) | Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801 | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-11-27 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
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2X9X
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![BU of 2x9x by Molmil](/molmil-images/mine/2x9x) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, IMIDAZOLE, SODIUM ION | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
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2XAO
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![BU of 2xao by Molmil](/molmil-images/mine/2xao) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP5 | Descriptor: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ZINC ION | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | Deposit date: | 2010-03-31 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.USA, 107, 2010
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4RVM
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![BU of 4rvm by Molmil](/molmil-images/mine/4rvm) | CHK1 kinase domain with diazacarbazole compound 19 | Descriptor: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S. | Deposit date: | 2014-11-26 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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2X5Y
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![BU of 2x5y by Molmil](/molmil-images/mine/2x5y) | Human ZC3HAV1 (ARTD13), C-terminal domain | Descriptor: | ZINC FINGER CCCH-TYPE ANTIVIRAL PROTEIN 1 | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kraulis, P, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H. | Deposit date: | 2010-02-11 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural Basis for Lack of Adp-Ribosyltransferase Activity in Poly(Adp-Ribose) Polymerase-13/Zinc Finger Antiviral Protein. J.Biol.Chem., 290, 2015
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2X47
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![BU of 2x47 by Molmil](/molmil-images/mine/2x47) | Crystal structure of human MACROD1 | Descriptor: | MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION | Authors: | Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | Deposit date: | 2010-01-28 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases. J.Biol.Chem., 286, 2011
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2XQ3
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![BU of 2xq3 by Molmil](/molmil-images/mine/2xq3) | Pentameric ligand gated ion channel GLIC in complex with Br-lidocaine | Descriptor: | BROMIDE ION, GLR4197 PROTEIN | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
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2XU0
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![BU of 2xu0 by Molmil](/molmil-images/mine/2xu0) | Crystal structure of the NTS-DBL1(alpha-1) domain of the Plasmodium falciparum membrane protein 1 (PfEMP1) from the varO strain. | Descriptor: | ERYTHROCYTE MEMBRANE PROTEIN 1, GLYCEROL, MAGNESIUM ION, ... | Authors: | Juillerat, A, Lewit-Bentley, A, Guillotte, M, Vigan-Womas, I, Hessler, A, Gangnard, S, England, P, Mercereau-Puijalon, O, Bentley, G.A. | Deposit date: | 2010-10-14 | Release date: | 2011-04-06 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure of a Plasmodium Falciparum Pfemp1 Rosetting Domain Reveals a Role for the N-Terminal Segment in Heparin-Mediated Rosette Inhibition. Proc.Natl.Acad.Sci.USA, 108, 2011
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2XUR
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![BU of 2xur by Molmil](/molmil-images/mine/2xur) | The G157C mutation in the Escherichia coli sliding clamp specifically affects initiation of replication | Descriptor: | DNA POLYMERASE III SUBUNIT BETA | Authors: | Johnsen, L, Morigen, Dalhus, B, Bjoras, M, Flaatten, I, Waldminghaus, T, Skarstad, K. | Deposit date: | 2010-10-20 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The G157C Mutation in the Escherichia Coli Sliding Clamp Specifically Affects Initiation of Replication. Mol.Microbiol., 79, 2011
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2XQ6
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![BU of 2xq6 by Molmil](/molmil-images/mine/2xq6) | Pentameric ligand gated ion channel GLIC in complex with cesium ion (Cs+) | Descriptor: | CESIUM ION, GLR4197 PROTEIN | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
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2Y3B
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![BU of 2y3b by Molmil](/molmil-images/mine/2y3b) | Co-bound form of Cupriavidus metallidurans CH34 CnrXs | Descriptor: | COBALT (II) ION, GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
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