7LNR
 
 | | Structure of the avibactam-CDD-1 120 minute complex in imidazole and MPD | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | | Deposit date: | 2021-02-08 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7LNO
 | | Structure of apo-CDD-1 beta-lactamase in imidazole and MPD | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | | Deposit date: | 2021-02-08 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7LNQ
 | | Structure of the avibactam-CDD-1 3 minute complex in imidazole and MPD | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K. | | Deposit date: | 2021-02-08 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
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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6OOC
 | | Structure of the pterocarpan synthase dirigent protein GePTS1 | | Descriptor: | Dirigent protein | | Authors: | Smith, C.A. | | Deposit date: | 2019-04-23 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains.
J.Biol.Chem., 295, 2020
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6OOD
 | | Structure of the pterocarpan synthase dirigent protein PsPTS1 | | Descriptor: | pterocarpan synthase dirigent protein PsPTS1 | | Authors: | Smith, C.A. | | Deposit date: | 2019-04-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains.
J.Biol.Chem., 295, 2020
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6PQC
 | | Structure of cefotaxime-CDD-1 beta-lactamase complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-07-09 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime.
J.Struct.Biol., 208, 2019
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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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3N4U
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1JBW
 | | FPGS-AMPPCP-folate complex | | Descriptor: | 5,10-METHYLENE-6-HYDROFOLIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, FOLYLPOLYGLUTAMATE SYNTHASE, ... | | Authors: | Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A. | | Deposit date: | 2001-06-06 | | Release date: | 2001-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Folate-binding triggers the activation of folylpolyglutamate synthetase.
J.Mol.Biol., 310, 2001
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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: | 2024-05-22 | | 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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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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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: | 2024-10-16 | | 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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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: | 2024-06-05 | | 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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2F00
 | | Escherichia coli MurC | | Descriptor: | MAGNESIUM ION, UDP-N-acetylmuramate--L-alanine ligase | | Authors: | Deva, T, Baker, E.N, Squire, C.J, Smith, C.A. | | Deposit date: | 2005-11-10 | | Release date: | 2006-10-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Escherichia coliUDP-N-acetylmuramoyl:L-alanine ligase (MurC).
Acta Crystallogr.,Sect.D, 62, 2006
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1CQ3
 | | STRUCTURE OF A SOLUBLE SECRETED CHEMOKINE INHIBITOR, VCCI, FROM COWPOX VIRUS | | Descriptor: | VIRAL CHEMOKINE INHIBITOR | | Authors: | Carfi, A, Smith, C.A, Smolak, P.J, McGrew, J, Wiley, D.C. | | Deposit date: | 1999-08-05 | | Release date: | 1999-11-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of a soluble secreted chemokine inhibitor vCCI (p35) from cowpox virus.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1DTG
 | | HUMAN TRANSFERRIN N-LOBE MUTANT H249E | | Descriptor: | CARBONATE ION, FE (III) ION, TRANSFERRIN | | Authors: | MacGillivray, R.T, Bewley, M.C, Smith, C.A, He, Q.Y, Mason, A.B. | | Deposit date: | 2000-01-12 | | Release date: | 2000-01-21 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mutation of the iron ligand His 249 to Glu in the N-lobe of human transferrin abolishes the dilysine "trigger" but does not significantly affect iron release.
Biochemistry, 39, 2000
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1E3J
 | | Ketose reductase (sorbitol dehydrogenase) from silverleaf whitefly | | Descriptor: | BORIC ACID, NADP(H)-DEPENDENT KETOSE REDUCTASE, PHOSPHATE ION, ... | | Authors: | Banfield, M.J, Salvucci, M.E, Baker, E.N, Smith, C.A. | | Deposit date: | 2000-06-19 | | Release date: | 2001-02-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Nadp(H)-Dependent Ketose Reductase from Besimia Argentifolii at 2.3 Angstrom Resolution
J.Mol.Biol., 306, 2001
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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: | 2024-10-09 | | 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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1JBV
 | | FPGS-AMPPCP complex | | Descriptor: | FOLYLPOLYGLUTAMATE SYNTHASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A. | | Deposit date: | 2001-06-06 | | Release date: | 2001-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Folate-binding triggers the activation of folylpolyglutamate synthetase.
J.Mol.Biol., 310, 2001
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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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