5ACQ
 
 | | W228A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | BETA-LACTAMASE, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ACT
 | | W228S-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ENF
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ACS
 | | Y233A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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5ACP
 | | W228R-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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7BJ9
 | | Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a | | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2021-01-14 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.21000588 Å) | | Cite: | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
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3KUW
 | | Structural basis of the activity ans substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with Fluoro-acetate | | Descriptor: | Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-27 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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5ACR
 | | W228Y-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | CALCIUM ION, GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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3KVI
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate | | Descriptor: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3KX7
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK | | Descriptor: | Fluoroacetyl-CoA thioesterase FlK | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-12-02 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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5G4O
 | | Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 | | Descriptor: | CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION | | Authors: | Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J. | | Deposit date: | 2016-05-13 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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2FHX
 | | Pseudomonas aeruginosa SPM-1 metallo-beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ... | | Authors: | Murphy, T.A, Catto, L.E, Halford, S.E, Hadfield, A.T, Minor, W, Walsh, T.R, Spencer, J. | | Deposit date: | 2005-12-27 | | Release date: | 2006-01-17 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Pseudomonas aeruginosa SPM-1 Provides Insights into Variable Zinc Affinity of Metallo-beta-lactamases.
J.Mol.Biol., 357, 2006
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2YNT
 | | GIM-1-3Mol native. Crystal structures of Pseudomonas aeruginosa GIM- 1: active site plasticity in metallo-beta-lactamases | | Descriptor: | GIM-1 PROTEIN, GLYCEROL, ZINC ION | | Authors: | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | | Deposit date: | 2012-10-18 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
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2YNW
 | | GIM-1-2Mol native. Crystal structures of Pseudomonas aeruginosa GIM- 1: active site plasticity in metallo-beta-lactamases | | Descriptor: | GIM-1 PROTEIN, GLYCEROL, SULFATE ION, ... | | Authors: | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | | Deposit date: | 2012-10-18 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
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5G4N
 | | Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083 | | Descriptor: | 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, GLYCEROL, ... | | Authors: | Joerger, A.C, Bauer, M, Jones, R.N, Spencer, J. | | Deposit date: | 2016-05-13 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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4EQI
 | | Crystal structure of serratia fonticola carbapenemase SFC-1 | | Descriptor: | 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION | | Authors: | Fonseca, F, Spencer, J. | | Deposit date: | 2012-04-18 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
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4AWZ
 | | Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157 | | Descriptor: | CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ... | | Authors: | Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O. | | Deposit date: | 2012-06-06 | | Release date: | 2012-06-20 | | Last modified: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157.
Antimicrob.Agents Chemother., 56, 2012
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2C5H
 | | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-adenosine | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, ... | | Authors: | McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J. | | Deposit date: | 2005-10-27 | | Release date: | 2006-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya
To be Published
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2CC2
 | | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 5'deoxyadenosine | | Descriptor: | 5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION | | Authors: | Mcewan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Spencer, J, Naismith, J.H. | | Deposit date: | 2006-01-11 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
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7AJN
 | | Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide | | Authors: | Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. | | Deposit date: | 2020-09-29 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
To Be Published
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5MX9
 | | High resolution crystal structure of the MCR-2 catalytic domain | | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-2, ZINC ION | | Authors: | Hinchliffe, P, Coates, K, Walsh, T.R, Spencer, J. | | Deposit date: | 2017-01-22 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | 1.12 angstrom resolution crystal structure of the catalytic domain of the plasmid-mediated colistin resistance determinant MCR-2.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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2C5B
 | | X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-5'deoxy-fluoroadenosine. | | Descriptor: | 5'-FLUORO-2',5'-DIDEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, METHIONINE | | Authors: | McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.A, O'Hagan, D, Naismith, J.H, Spencer, J. | | Deposit date: | 2005-10-26 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Substrate Specificity in Enzymatic Fluorination. The Fluorinase from Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates.
Org.Biomol.Chem., 4, 2006
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1GI1
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | Deposit date: | 2001-01-22 | | Release date: | 2002-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
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1GI6
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | Deposit date: | 2001-01-22 | | Release date: | 2002-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
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7BJ8
 | | Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2021-01-14 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
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