6W5G
| Class D beta-lactamase BAT-2 | Descriptor: | 1,2-ETHANEDIOL, BAT-2 beta-lactamase | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-03-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6W5F
| Class D beta-lactamase BSU-2 delta mutant | Descriptor: | 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-03-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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6W5O
| Class D beta-lactamase BAT-2 delta mutant | Descriptor: | 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-03-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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5CTM
| Structure of BPu1 beta-lactamase | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2015-07-24 | Release date: | 2015-11-18 | Last modified: | 2015-12-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Class D beta-lactamases do exist in Gram-positive bacteria. Nat.Chem.Biol., 12, 2016
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7KEQ
| avibactam-CDD-1 6 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-11 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7KER
| avibactam-CDD-1 45 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-12 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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7KEP
| avibactam-CDD-1 2 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-11 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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3N4U
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3N4V
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3N4T
| apo APH(2")-IVa form I | Descriptor: | APH(2'')-Id | Authors: | Smith, C.A, Toth, M, Frase, H, Vakulenko, S.B. | Deposit date: | 2010-05-22 | Release date: | 2010-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and kinetic mechanism of aminoglycoside phosphotransferase-2''-IVa. Protein Sci., 19, 2010
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4QU3
| GES-2 ertapenem acyl-enzyme complex | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ... | Authors: | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | Deposit date: | 2014-07-10 | Release date: | 2014-12-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases. Biochemistry, 54, 2015
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8DA2
| Acinetobacter baumannii L,D-transpeptidase | Descriptor: | L,D-transpeptidase family protein | Authors: | Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B. | Deposit date: | 2022-06-12 | Release date: | 2022-09-14 | Last modified: | 2022-09-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture. Acs Infect Dis., 8, 2022
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4REV
| Structure of the dirigent protein DRR206 | Descriptor: | 2,3-DIMETHYLIMIDAZOLIUM ION, CHLORIDE ION, Disease resistance response protein 206, ... | Authors: | Kim, K.-Y, Smith, C.A, Merkley, E.D, Cort, J.R, Davin, L.B, Lewis, N.G. | Deposit date: | 2014-09-24 | Release date: | 2014-11-26 | Last modified: | 2015-02-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Trimeric Structure of (+)-Pinoresinol-forming Dirigent Protein at 1.95 angstrom Resolution with Three Isolated Active Sites. J.Biol.Chem., 290, 2015
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1BKA
| OXALATE-SUBSTITUTED DIFERRIC LACTOFERRIN | Descriptor: | FE (III) ION, LACTOFERRIN, OXALATE ION | Authors: | Baker, H.M, Smith, C.A, Baker, E.N. | Deposit date: | 1996-04-15 | Release date: | 1996-11-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anion binding by transferrins: importance of second-shell effects revealed by the crystal structure of oxalate-substituted diferric lactoferrin. Biochemistry, 35, 1996
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1A8F
| HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE | Descriptor: | CARBONATE ION, FE (III) ION, SERUM TRANSFERRIN | Authors: | Macgillivray, R.T.A, Moore, S.A, Chen, J, Anderson, B.F, Baker, H, Luo, Y, Bewley, M, Smith, C.A, Murphy, M.E.P, Wang, Y, Mason, A.B, Woodworth, R.C, Brayer, G.D, Baker, E.N. | Deposit date: | 1998-03-25 | Release date: | 1998-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two high-resolution crystal structures of the recombinant N-lobe of human transferrin reveal a structural change implicated in iron release. Biochemistry, 37, 1998
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1A8E
| HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE | Descriptor: | CARBONATE ION, FE (III) ION, SERUM TRANSFERRIN | Authors: | Macgillivray, R.T.A, Moore, S.A, Chen, J, Anderson, B.F, Baker, H, Luo, Y, Bewley, M, Smith, C.A, Murphy, M.E.P, Wang, Y, Mason, A.B, Woodworth, R.C, Brayer, G.D, Baker, E.N. | Deposit date: | 1998-03-24 | Release date: | 1998-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two high-resolution crystal structures of the recombinant N-lobe of human transferrin reveal a structural change implicated in iron release. Biochemistry, 37, 1998
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1YK3
| Crystal structure of Rv1347c from Mycobacterium tuberculosis | Descriptor: | Hypothetical protein Rv1347c/MT1389, octyl beta-D-glucopyranoside | Authors: | Card, G.L, Peterson, N.A, Smith, C.A, Rupp, B, Schick, B.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-01-16 | Release date: | 2005-02-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis J.Biol.Chem., 280, 2005
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3HAV
| Structure of the streptomycin-ATP-APH(2")-IIa ternary complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside phosphotransferase, MAGNESIUM ION, ... | Authors: | Young, P.G, Baker, E.N, Vakulenko, S.B, Smith, C.A. | Deposit date: | 2009-05-02 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily. J.Bacteriol., 191, 2009
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3HAM
| Structure of the gentamicin-APH(2")-IIa complex | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside phosphotransferase, GLYCEROL | Authors: | Young, P.G, Baker, E.N, Vakulenko, S.B, Smith, C.A. | Deposit date: | 2009-05-02 | Release date: | 2009-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structures of substrate and nucleotide complexes of Enterococcus faecium aminoglycoside-2''-phosphotransferase-IIa [APH(2'')-IIa] provide insights into substrate selectivity in the APH(2'') subfamily. J.Bacteriol., 191, 2009
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6OTW
| Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 5.0 | Descriptor: | Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | Deposit date: | 2019-05-03 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.447 Å) | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
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6OTY
| Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 4.0 | Descriptor: | Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | Deposit date: | 2019-05-03 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
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6OTX
| Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 7.0 | Descriptor: | Hemoglobin II, Hemoglobin III, OXYGEN MOLECULE, ... | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | Deposit date: | 2019-05-03 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.539 Å) | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
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4NET
| Crystal structure of ADC-1 beta-lactamase | Descriptor: | AmpC, GLYCEROL, NITRATE ION | Authors: | Bhattacharya, M, Toth, M, Antunes, N.T, Smith, C.A, Vakulenko, S.B. | Deposit date: | 2013-10-30 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of the extended-spectrum class C beta-lactamase ADC-1 from Acinetobacter baumannii. Acta Crystallogr.,Sect.D, 70, 2014
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4N5H
| Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001) | Descriptor: | CALCIUM ION, CHLORIDE ION, Esterase/lipase, ... | Authors: | Bennett, M.D, Holland, R, Loo, T.S, Smith, C.A, Norris, G.E, Delabre, M.-L, Anderson, B.F. | Deposit date: | 2013-10-09 | Release date: | 2014-10-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001) TO BE PUBLISHED
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1ND4
| Crystal structure of aminoglycoside-3'-phosphotransferase-IIa | Descriptor: | ACETATE ION, Aminoglycoside 3'-phosphotransferase, KANAMYCIN A, ... | Authors: | Nurizzo, D, Shewry, S.C, Baker, E.N, Smith, C.A. | Deposit date: | 2002-12-06 | Release date: | 2003-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of aminoglycoside-3'-phosphotransferase-IIa, an enzyme responsible for antibiotic resistance J.Mol.Biol., 327, 2003
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