1TZY
 
 | | Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution | | Descriptor: | CHLORIDE ION, HISTONE H3, HISTONE H4-VI, ... | | Authors: | Wood, C.M, Nicholson, J.M, Chantalat, L, Reynolds, C.D, Lambert, S.J, Baldwin, J.P. | | Deposit date: | 2004-07-12 | | Release date: | 2004-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution structure of the native histone octamer.
Acta Crystallogr.,Sect.F, 61, 2005
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1R65
 | | Crystal structure of ferrous soaked Ribonucleotide Reductase R2 subunit (wildtype) at pH 5 from E. coli | | Descriptor: | FE (II) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2003-10-14 | | Release date: | 2004-01-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
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1U0F
 | | Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, BETA-MERCAPTOETHANOL, GLUCOSE-6-PHOSPHATE, ... | | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
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5IKM
 | | 1.9 Angstrom Crystal Structure of NS5 Methyl Transferase from Dengue Virus 1 in Complex with S-Adenosylmethionine and Beta-D-Fructopyranose. | | Descriptor: | CHLORIDE ION, D-MALATE, GLYCEROL, ... | | Authors: | Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-03-03 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of NS5 Methyl Transferase from Dengue Virus 1 in Complex with S-Adenosylmethionine and Beta-D-Fructopyranose.
To Be Published
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1IAT
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHOGLUCOSE ISOMERASE/NEUROLEUKIN/AUTOCRINE MOTILITY FACTOR/MATURATION FACTOR | | Descriptor: | BETA-MERCAPTOETHANOL, PHOSPHOGLUCOSE ISOMERASE, SULFATE ION | | Authors: | Read, J.A, Pearce, J, Li, X, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2001-03-23 | | Release date: | 2001-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The crystal structure of human phosphoglucose isomerase at 1.6 A resolution: implications for catalytic mechanism, cytokine activity and haemolytic anaemia.
J.Mol.Biol., 309, 2001
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1U0E
 | | Crystal structure of mouse phosphoglucose isomerase | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Glucose-6-phosphate isomerase, ... | | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
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1U0G
 | | Crystal structure of mouse phosphoglucose isomerase in complex with erythrose 4-phosphate | | Descriptor: | BETA-MERCAPTOETHANOL, ERYTHOSE-4-PHOSPHATE, GLYCEROL, ... | | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
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1S05
 | | NMR-validated structural model for oxidized R.palustris cytochrome c556 | | Descriptor: | Cytochrome c-556, HEME C | | Authors: | Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R. | | Deposit date: | 2003-12-30 | | Release date: | 2004-01-20 | | Last modified: | 2021-03-03 | | Method: | SOLUTION NMR | | Cite: | NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
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6DTE
 | | GlcNAc-inspired cyclophellitol bound to NagZ | | Descriptor: | 2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide, Beta-hexosaminidase | | Authors: | Mark, B.L, Winogrodzki, J.L. | | Deposit date: | 2018-06-15 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | A mechanism-based GlcNAc-inspired cyclophellitol inactivator of the peptidoglycan recycling enzyme NagZ reverses resistance to beta-lactams in Pseudomonas aeruginosa.
Chem. Commun. (Camb.), 54, 2018
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1JZJ
 | | Pseudomonas aeruginosa Azurin Os(bpy)2(im)(His83) | | Descriptor: | COPPER (II) ION, DELTA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II), LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II), ... | | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | | Deposit date: | 2001-09-16 | | Release date: | 2001-10-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins.
J.Am.Chem.Soc., 123, 2001
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5FDC
 | | Crystal structure of Human Carbonic Anhydrase II in complex with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. | | Descriptor: | 3-[(sulfamoylamino)methyl]-1-benzothiophene, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Di Fiore, A, De Simone, G, Alterio, V, Riccio, V, Winum, J.-Y, Carta, F, Supuran, C.T. | | Deposit date: | 2015-12-16 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies.
Org.Biomol.Chem., 14, 2016
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1BLZ
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE-NO COMPLEX) | | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | | Deposit date: | 1998-07-22 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation.
Nature, 387, 1997
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1E5R
 | | Proline 3-hydroxylase (type II) -apo form | | Descriptor: | PROLINE OXIDASE | | Authors: | Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K. | | Deposit date: | 2000-07-28 | | Release date: | 2001-07-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases.
Eur.J.Biochem., 268, 2001
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5HXM
 | | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose | | Descriptor: | Alpha-xylosidase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-31 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5FDI
 | | Crystal structure of Human Carbonic Anhydrase II with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. | | Descriptor: | 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Di Fiore, A, De Simone, G, Alterio, V, Riccio, V, Winum, J.-Y, Carta, F, Supuran, C.T. | | Deposit date: | 2015-12-16 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies.
Org.Biomol.Chem., 14, 2016
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1DPJ
 | | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, ... | | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | | Deposit date: | 1999-12-27 | | Release date: | 2000-05-03 | | Last modified: | 2021-07-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix.
Nat.Struct.Biol., 7, 2000
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1DP5
 | | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR | | Descriptor: | PROTEINASE A, PROTEINASE INHIBITOR IA3, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | | Deposit date: | 1999-12-23 | | Release date: | 2000-05-03 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix.
Nat.Struct.Biol., 7, 2000
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1JZF
 | | Pseudomonas aeruginosa Oxidized Azurin(Cu2+) Ru(tpy)(phen)(His83) | | Descriptor: | (2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II), AZURIN, COPPER (II) ION, ... | | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | | Deposit date: | 2001-09-16 | | Release date: | 2001-10-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins.
J.Am.Chem.Soc., 123, 2001
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1JZI
 | | Pseudomonas aeruginosa Azurin Re(phen)(CO)3(His83) | | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), AZURIN, COPPER (II) ION, ... | | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | | Deposit date: | 2001-09-16 | | Release date: | 2001-10-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins.
J.Am.Chem.Soc., 123, 2001
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1E5S
 | | Proline 3-hydroxylase (type II) - Iron form | | Descriptor: | FE (II) ION, PROLINE OXIDASE, SULFATE ION | | Authors: | Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K. | | Deposit date: | 2000-07-28 | | Release date: | 2001-07-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases.
Eur.J.Biochem., 268, 2001
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1JZG
 | | Pseudomonas aeruginosa Reduced Azurin (Cu1+) Ru(tpy)(phen)(His83) | | Descriptor: | (2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II), AZURIN, COPPER (I) ION, ... | | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | | Deposit date: | 2001-09-16 | | Release date: | 2001-10-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins.
J.Am.Chem.Soc., 123, 2001
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5HPO
 | | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-20 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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1DRY
 | | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE | | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | | Deposit date: | 2000-01-06 | | Release date: | 2000-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
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1DS1
 | | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE | | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | | Deposit date: | 2000-01-06 | | Release date: | 2000-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
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4D4L
 | | human PFKFB3 in complex with a pyrrolopyrimidone compound | | Descriptor: | 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | | Deposit date: | 2014-10-29 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
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