6PDW
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![BU of 6pdw by Molmil](/molmil-images/mine/6pdw) | Msp1-substrate complex in closed conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Wang, L, Myasnikov, A, Pan, X, Walter, P. | Deposit date: | 2019-06-19 | Release date: | 2020-02-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction. Elife, 9, 2020
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2VYV
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![BU of 2vyv by Molmil](/molmil-images/mine/2vyv) | Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer | Descriptor: | FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Frayne, J, Taylor, A, Hall, L, Hadfield, A. | Deposit date: | 2008-07-29 | Release date: | 2008-08-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design. J.Biol.Chem., 284, 2009
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2CEJ
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![BU of 2cej by Molmil](/molmil-images/mine/2cej) | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, POL PROTEIN | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-07 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold J.Med.Chem., 49, 2006
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6PPA
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![BU of 6ppa by Molmil](/molmil-images/mine/6ppa) | Crystal structure of the unliganded bromodomain of human BRD7 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 7, PHOSPHATE ION | Authors: | Chan, A, Karim, M.R, Zhu, J, Schonbrunn, E. | Deposit date: | 2019-07-05 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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2IUF
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![BU of 2iuf by Molmil](/molmil-images/mine/2iuf) | The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W. | Deposit date: | 2006-06-02 | Release date: | 2006-07-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations. J.Am.Chem.Soc., 129, 2007
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6PJC
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![BU of 6pjc by Molmil](/molmil-images/mine/6pjc) | HIV-1 Protease NL4-3 WT in Complex with LR4-41 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.965 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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3B2K
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![BU of 3b2k by Molmil](/molmil-images/mine/3b2k) | Iodide derivative of human LFABP | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | Authors: | Sharma, A, Yogavel, M, Sharma, A. | Deposit date: | 2011-08-03 | Release date: | 2012-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Utility of anion and cation combinations for phasing of protein structures. J.Struct.Funct.Genom., 13, 2012
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6FX8
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![BU of 6fx8 by Molmil](/molmil-images/mine/6fx8) | |
5G1A
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![BU of 5g1a by Molmil](/molmil-images/mine/5g1a) | Bordetella Alcaligenes HDAH bound to PFSAHA | Descriptor: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-24 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket. Biochim. Biophys. Acta, 1861, 2017
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2C95
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![BU of 2c95 by Molmil](/molmil-images/mine/2c95) | Structure of adenylate kinase 1 in complex with P1,P4-di(adenosine) tetraphosphate | Descriptor: | ADENYLATE KINASE 1, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, MALONATE ION | Authors: | Bunkoczi, G, Filippakopoulos, P, Jansson, A, Longman, E, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S. | Deposit date: | 2005-12-09 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure of Adenylate Kinase 1 in Complex with P1, P4-Di(Adenosine)Tetraphosphate To be Published
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3SJG
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![BU of 3sjg by Molmil](/molmil-images/mine/3sjg) | Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid | Descriptor: | (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C. | Deposit date: | 2011-06-21 | Release date: | 2011-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity. J.Med.Chem., 54, 2011
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3SJE
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![BU of 3sje by Molmil](/molmil-images/mine/3sje) | X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-aminononanoic acid | Descriptor: | (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C. | Deposit date: | 2011-06-21 | Release date: | 2011-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity. J.Med.Chem., 54, 2011
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2IDE
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![BU of 2ide by Molmil](/molmil-images/mine/2ide) | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 | Descriptor: | Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-09-15 | Release date: | 2007-09-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 To be Published
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6FOG
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![BU of 6fog by Molmil](/molmil-images/mine/6fog) | |
3SKR
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![BU of 3skr by Molmil](/molmil-images/mine/3skr) | Crystal structure of the 2'- Deoxyguanosine riboswitch bound to 2'- Deoxyguanosine, cobalt Hexammine soak | Descriptor: | 2'-DEOXY-GUANOSINE, COBALT HEXAMMINE(III), MAGNESIUM ION, ... | Authors: | Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A. | Deposit date: | 2011-06-23 | Release date: | 2011-08-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat.Chem.Biol., 7, 2011
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3SKZ
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![BU of 3skz by Molmil](/molmil-images/mine/3skz) | Crystal structure of the 2'- deoxyguanosine riboswitch bound to guanosine | Descriptor: | GUANOSINE, MAGNESIUM ION, RNA (68-MER), ... | Authors: | Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A. | Deposit date: | 2011-06-23 | Release date: | 2011-08-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat.Chem.Biol., 7, 2011
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3SLZ
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![BU of 3slz by Molmil](/molmil-images/mine/3slz) | The crystal structure of XMRV protease complexed with TL-3 | Descriptor: | FORMIC ACID, SODIUM ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, ... | Authors: | Li, M, Gustchina, A, Wlodawer, A. | Deposit date: | 2011-06-27 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease. Febs J., 278, 2011
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3SM2
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![BU of 3sm2 by Molmil](/molmil-images/mine/3sm2) | The crystal structure of XMRV protease complexed with Amprenavir | Descriptor: | gag-pro-pol polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | Authors: | Li, M, Gustchina, A, Wlodawer, A. | Deposit date: | 2011-06-27 | Release date: | 2011-10-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease. Febs J., 278, 2011
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1I6U
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![BU of 1i6u by Molmil](/molmil-images/mine/1i6u) | RNA-PROTEIN INTERACTIONS: THE CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN S8/RRNA COMPLEX FROM METHANOCOCCUS JANNASCHII | Descriptor: | 16S RRNA FRAGMENT, 30S RIBOSOMAL PROTEIN S8P, SULFATE ION | Authors: | Tishchenko, S, Nikulin, A, Fomenkova, N, Nevskaya, N, Nikonov, O, Dumas, P, Moine, H, Ehresmann, B, Ehresmann, C, Piendl, W, Lamzin, V, Garber, M, Nikonov, S. | Deposit date: | 2001-03-05 | Release date: | 2001-08-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Detailed analysis of RNA-protein interactions within the ribosomal protein S8-rRNA complex from the archaeon Methanococcus jannaschii. J.Mol.Biol., 311, 2001
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6PKU
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![BU of 6pku by Molmil](/molmil-images/mine/6pku) | Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C51S C221S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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6PLH
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![BU of 6plh by Molmil](/molmil-images/mine/6plh) | FAB fragment complexed with C-mannosylated tryptophan peptide | Descriptor: | Fab 5G12 heavy chain, Fab 5G12 light chain, Interleukin-21 receptor, ... | Authors: | John, A, Jarva, M.A, Goddard-Borger, E.D. | Deposit date: | 2019-06-30 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Yeast- and antibody-based tools for studying tryptophan C-mannosylation. Nat.Chem.Biol., 17, 2021
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3SLQ
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![BU of 3slq by Molmil](/molmil-images/mine/3slq) | Crystal structure of the 2'- Deoxyguanosine riboswitch bound to guanosine-5'-monophosphate | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RNA (68-MER), SUCCINIC ACID, ... | Authors: | Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A. | Deposit date: | 2011-06-24 | Release date: | 2011-08-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat.Chem.Biol., 7, 2011
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2IHC
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![BU of 2ihc by Molmil](/molmil-images/mine/2ihc) | Crystal structure of the bric-a-brac (BTB) domain of human BACH1 | Descriptor: | Transcription regulator protein BACH1 | Authors: | Amos, A.L, Turnbull, A.P, Bunkoczi, G, Papagrigoriou, E, Gorrec, F, Umeano, C, Bullock, A, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-26 | Release date: | 2006-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of the bric-a-brac (BTB) domain of human BACH1 To be Published
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5CGD
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![BU of 5cgd by Molmil](/molmil-images/mine/5cgd) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242) | Descriptor: | 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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6PO4
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![BU of 6po4 by Molmil](/molmil-images/mine/6po4) | 2.1 Angstrom Resolution Crystal Structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (mtnN) from Haemophilus influenzae PittII. | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, ... | Authors: | Minasov, G, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-03 | Release date: | 2019-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2.1 Angstrom Resolution Crystal Structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (mtnN) from Haemophilus influenzae PittII. To Be Published
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