3MPG
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![BU of 3mpg by Molmil](/molmil-images/mine/3mpg) | |
3UIC
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![BU of 3uic by Molmil](/molmil-images/mine/3uic) | Crystal Structure of FabI, an Enoyl Reductase from F. tularensis, in complex with a Novel and Potent Inhibitor | Descriptor: | 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E. | Deposit date: | 2011-11-04 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors. J.Med.Chem., 55, 2012
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3V4S
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![BU of 3v4s by Molmil](/molmil-images/mine/3v4s) | Crystal Structure of ADP-ATP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ... | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2011-12-15 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis. Acta Crystallogr.,Sect.D, 70, 2014
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4YIW
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![BU of 4yiw by Molmil](/molmil-images/mine/4yiw) | DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND | Descriptor: | Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ZINC ION | Authors: | Lei, H, Santarsiero, B.D, Rice, A.J, Lee, H, Johnson, M.E. | Deposit date: | 2015-03-02 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase). Bioorg.Med.Chem., 24, 2016
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7L00
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4RNA
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![BU of 4rna by Molmil](/molmil-images/mine/4rna) | Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus | Descriptor: | PHOSPHATE ION, ZINC ION, papain-like protease | Authors: | Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E. | Deposit date: | 2014-10-23 | Release date: | 2015-03-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV. Acs Chem.Biol., 10, 2015
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2ZC1
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![BU of 2zc1 by Molmil](/molmil-images/mine/2zc1) | Organophosphorus Hydrolase from Deinococcus radiodurans | Descriptor: | BROMIDE ION, COBALT (II) ION, Phosphotriesterase | Authors: | Larsen, S.D, Hawwa, R, Ratia, K, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2007-11-02 | Release date: | 2008-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray Structural Insights into a Phosphotriesterase to be published
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4DLK
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![BU of 4dlk by Molmil](/molmil-images/mine/4dlk) | Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2012-02-06 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis. Acta Crystallogr.,Sect.D, 70, 2014
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2ALV
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![BU of 2alv by Molmil](/molmil-images/mine/2alv) | X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors | Descriptor: | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab | Authors: | Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D. | Deposit date: | 2005-08-08 | Release date: | 2006-08-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors. J.Med.Chem., 48, 2005
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2DWU
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![BU of 2dwu by Molmil](/molmil-images/mine/2dwu) | Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis | Descriptor: | D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ... | Authors: | Mehboob, S, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2006-08-17 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design J.Mol.Biol., 371, 2007
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2FE8
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![BU of 2fe8 by Molmil](/molmil-images/mine/2fe8) | SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme | Descriptor: | BROMIDE ION, Replicase polyprotein 1ab, SULFATE ION, ... | Authors: | Ratia, K, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2005-12-15 | Release date: | 2006-03-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme Proc.Natl.Acad.Sci.Usa, 103, 2006
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3F31
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![BU of 3f31 by Molmil](/molmil-images/mine/3f31) | Crystal Structure of the N-terminal region of AlphaII-spectrin Tetramerization Domain | Descriptor: | Spectrin alpha chain, brain | Authors: | Mehboob, S, Santarsiero, B.D, Long, F, Witek, M, Fung, L.W. | Deposit date: | 2008-10-30 | Release date: | 2009-10-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the nonerythroid alpha-spectrin tetramerization site reveals differences between erythroid and nonerythroid spectrin tetramer formation. J.Biol.Chem., 285, 2010
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3FCT
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![BU of 3fct by Molmil](/molmil-images/mine/3fct) | MATURE METAL CHELATASE CATALYTIC ANTIBODY WITH HAPTEN | Descriptor: | CADMIUM ION, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Romesberg, F.E, Santarsiero, B.D, Barnes, D, Yin, J, Spiller, B, Schultz, P.G, Stevens, R.C. | Deposit date: | 1999-06-13 | Release date: | 1999-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and kinetic evidence for strain in biological catalysis. Biochemistry, 37, 1998
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3NRC
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![BU of 3nrc by Molmil](/molmil-images/mine/3nrc) | Crystal Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD+ and triclosan | Descriptor: | Enoyl-[acyl-carrier-protein] reductase (NADH), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E. | Deposit date: | 2010-06-30 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD(+) and triclosan. Acta Crystallogr.,Sect.F, 66, 2010
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2QIO
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![BU of 2qio by Molmil](/molmil-images/mine/2qio) | |
2QX6
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![BU of 2qx6 by Molmil](/molmil-images/mine/2qx6) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QWX
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![BU of 2qwx by Molmil](/molmil-images/mine/2qwx) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-04-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QX4
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![BU of 2qx4 by Molmil](/molmil-images/mine/2qx4) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QTN
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![BU of 2qtn by Molmil](/molmil-images/mine/2qtn) | Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase | Descriptor: | GLYCEROL, MAGNESIUM ION, NICOTINATE MONONUCLEOTIDE, ... | Authors: | Sershon, V.C, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2007-08-02 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis. J.Mol.Biol., 385, 2009
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2QX8
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![BU of 2qx8 by Molmil](/molmil-images/mine/2qx8) | Crystal Structure of Quinone Reductase II | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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1RTP
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![BU of 1rtp by Molmil](/molmil-images/mine/1rtp) | REFINED X-RAY STRUCTURE OF RAT PARVALBUMIN, A MAMMALIAN ALPHA-LINEAGE PARVALBUMIN, AT 2.0 A RESOLUTION | Descriptor: | ALPHA-PARVALBUMIN, CALCIUM ION | Authors: | Mcphalen, C.A, Sielecki, A.R, Santarsiero, B.D, James, M.N.G. | Deposit date: | 1993-05-14 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Refined crystal structure of rat parvalbumin, a mammalian alpha-lineage parvalbumin, at 2.0 A resolution. J.Mol.Biol., 235, 1994
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1T5A
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![BU of 1t5a by Molmil](/molmil-images/mine/1t5a) | Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Dombrauckas, J.D, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2004-05-03 | Release date: | 2005-07-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for tumor pyruvate kinase M2 allosteric regulation and catalysis. Biochemistry, 44, 2005
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3Q2O
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![BU of 3q2o by Molmil](/molmil-images/mine/3q2o) | Crystal Structure of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | Descriptor: | MAGNESIUM ION, Phosphoribosylaminoimidazole carboxylase, ATPase subunit | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2010-12-20 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of N(5)-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis. Acta Crystallogr.,Sect.D, 67, 2011
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3QFF
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![BU of 3qff by Molmil](/molmil-images/mine/3qff) | Crystal Structure of ADP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthetase | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2011-01-21 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis. Acta Crystallogr.,Sect.D, 70, 2014
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3R5H
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![BU of 3r5h by Molmil](/molmil-images/mine/3r5h) | Crystal Structure of ADP-AIR complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis Acta Crystallogr.,Sect.D, 70, 2014
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