3OJO
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![BU of 3ojo by Molmil](/molmil-images/mine/3ojo) | Derivative structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from S. aureus | Descriptor: | Cap5O, EUROPIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nessler, S, Gruszczyk, J, Olivares-Illana, V, Meyer, P, Morera, S. | Deposit date: | 2010-08-23 | Release date: | 2011-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis. J.Biol.Chem., 286, 2011
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3OJL
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![BU of 3ojl by Molmil](/molmil-images/mine/3ojl) | Native structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from Staphylococcus aureus | Descriptor: | Cap5O, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Nessler, S, Gruszczyk, J, Olivares-Illana, V, Meyer, P, Morera, S, Grangeasse, C, Fleurie, A. | Deposit date: | 2010-08-23 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis. J.Biol.Chem., 286, 2011
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3C22
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![BU of 3c22 by Molmil](/molmil-images/mine/3c22) | |
4C1O
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![BU of 4c1o by Molmil](/molmil-images/mine/4c1o) | Geobacillus thermoglucosidasius GH family 52 xylosidase | Descriptor: | 1,2-ETHANEDIOL, BETA-XYLOSIDASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Espina, G, Eley, K, Schneider, T.R, Crennell, S.J, Danson, M.J. | Deposit date: | 2013-08-13 | Release date: | 2014-05-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Novel Beta-Xylosidase Structure from Geobacillus Thermoglucosidasius: The First Crystal Structure of a Glycoside Hydrolase Family Gh52 Enzyme Reveals Unpredicted Similarity to Other Glycoside Hydrolase Folds Acta Crystallogr.,Sect.D, 70, 2014
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4C1P
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![BU of 4c1p by Molmil](/molmil-images/mine/4c1p) | Geobacillus thermoglucosidasius GH family 52 xylosidase | Descriptor: | BETA-XYLOSIDASE, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Espina, G, Eley, K, Schneider, T.R, Crennell, S.J, Danson, M.J. | Deposit date: | 2013-08-13 | Release date: | 2014-05-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | A Novel Beta-Xylosidase Structure from Geobacillus Thermoglucosidasius: The First Crystal Structure of a Glycoside Hydrolase Family Gh52 Enzyme Reveals Unpredicted Similarity to Other Glycoside Hydrolase Folds Acta Crystallogr.,Sect.D, 70, 2014
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4BAL
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![BU of 4bal by Molmil](/molmil-images/mine/4bal) | Thaumatin from Thaumatococcus daniellii structure in complex with the europium tris-hydroxymethyltriazoledipicolinate complex at 1.30 A resolution. | Descriptor: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, EUROPIUM (III) ION, THAUMATIN-1 | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | Deposit date: | 2012-09-14 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination. Chem.Commun.(Camb.), 48, 2012
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4BAF
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![BU of 4baf by Molmil](/molmil-images/mine/4baf) | Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethyltriazoledipicolinate complex at 1.51 A resolution. | Descriptor: | 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | Deposit date: | 2012-09-14 | Release date: | 2012-11-14 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.507 Å) | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination. Chem.Commun.(Camb.), 48, 2012
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4BAD
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![BU of 4bad by Molmil](/molmil-images/mine/4bad) | Hen egg-white lysozyme structure in complex with the europium tris- hydroxymethyltriazoledipicolinate complex at 1.35 A resolution. | Descriptor: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | Deposit date: | 2012-09-13 | Release date: | 2012-11-14 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination. Chem.Commun.(Camb.), 48, 2012
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4BAR
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![BU of 4bar by Molmil](/molmil-images/mine/4bar) | Thaumatin from Thaumatococcus daniellii structure in complex with the europium tris-hydroxyethyltriazoledipicolinate complex at 1.20 A resolution. | Descriptor: | 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, EUROPIUM (III) ION, THAUMATIN-1 | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | Deposit date: | 2012-09-14 | Release date: | 2012-11-14 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Clicked europium dipicolinate complexes for protein X-ray structure determination. Chem. Commun. (Camb.), 48, 2012
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4BAP
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![BU of 4bap by Molmil](/molmil-images/mine/4bap) | Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethylcholinetriazoledipicolinate complex at 1.21 A resolution. | Descriptor: | ACETATE ION, CHLORIDE ION, EUROPIUM (III) ION, ... | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | Deposit date: | 2012-09-14 | Release date: | 2012-11-14 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.207 Å) | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination. Chem.Commun.(Camb.), 48, 2012
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2WTO
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![BU of 2wto by Molmil](/molmil-images/mine/2wto) | Crystal Structure of Apo-form Czce from C. metallidurans CH34 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN | Authors: | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | Deposit date: | 2009-09-18 | Release date: | 2010-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce. Biochemistry, 49, 2010
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2WTP
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![BU of 2wtp by Molmil](/molmil-images/mine/2wtp) | Crystal Structure of Cu-form Czce from C. metallidurans CH34 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | Deposit date: | 2009-09-18 | Release date: | 2010-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce. Biochemistry, 49, 2010
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7B83
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![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AQE
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![BU of 7aqe by Molmil](/molmil-images/mine/7aqe) | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P, Meents, A. | Deposit date: | 2020-10-21 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4CDY
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![BU of 4cdy by Molmil](/molmil-images/mine/4cdy) | Spectroscopically-validated structure of cytochrome c prime from Alcaligenes xylosoxidans, reduced by X-ray irradiation at 160K | Descriptor: | CYTOCHROME C', HEME C | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-11-07 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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4CDV
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![BU of 4cdv by Molmil](/molmil-images/mine/4cdv) | Spectroscopically-validated structure of cytochrome c prime from Alcaligenes xylosoxidans, reduced by X-ray irradiation at 100K | Descriptor: | CYTOCHROME C', HEME C, SULFATE ION | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-11-06 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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4CJO
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![BU of 4cjo by Molmil](/molmil-images/mine/4cjo) | Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced at 180K using X-rays | Descriptor: | CYTOCHROME C', HEME C | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-12-21 | Release date: | 2014-05-21 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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4CIP
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![BU of 4cip by Molmil](/molmil-images/mine/4cip) | Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced using ascorbate | Descriptor: | ASCORBIC ACID, CYTOCHROME C', HEME C, ... | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-12-13 | Release date: | 2014-05-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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4CJG
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![BU of 4cjg by Molmil](/molmil-images/mine/4cjg) | Spectroscopically validated structure of the 5 coordinate proximal NO adduct of cytochrome c prime from Alcaligenes xylosoxidans | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | Authors: | Kekilli, D, Dworkowski, F, Fuchs, M, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-12-20 | Release date: | 2014-05-21 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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4CDA
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![BU of 4cda by Molmil](/molmil-images/mine/4cda) | Spectroscopically-validated structure of ferric cytochrome c prime from Alcaligenes xylosoxidans | Descriptor: | CYTOCHROME C', HEME C, SULFATE ION | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-10-30 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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8PCE
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![BU of 8pce by Molmil](/molmil-images/mine/8pce) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCT
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![BU of 8pct by Molmil](/molmil-images/mine/8pct) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 2500 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCD
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![BU of 8pcd by Molmil](/molmil-images/mine/8pcd) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 150 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCM
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![BU of 8pcm by Molmil](/molmil-images/mine/8pcm) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 80 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCR
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![BU of 8pcr by Molmil](/molmil-images/mine/8pcr) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 750 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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