4NYA
 
 | | Crystal structure of the E. coli thiM riboswitch in complex with 5-(azidomethyl)-2-methylpyrimidin-4-amine | | Descriptor: | 5-(azidomethyl)-2-methylpyrimidin-4-amine, MAGNESIUM ION, thiM TPP riboswitch | | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
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1JLY
 | | CRYSTAL STRUCTURE OF AMARANTHUS CAUDATUS AGGLUTININ | | Descriptor: | AGGLUTININ | | Authors: | Transue, T.R, Smith, A.K, Mo, H, Goldstein, I.J, Saper, M.A. | | Deposit date: | 1997-07-23 | | Release date: | 1997-12-03 | | Last modified: | 2013-02-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of benzyl T-antigen disaccharide bound to Amaranthus caudatus agglutinin.
Nat.Struct.Biol., 4, 1997
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4NYD
 | | Crystal structure of the E. coli thiM riboswitch in complex with hypoxanthine | | Descriptor: | HYPOXANTHINE, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
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1JLX
 | | AGGLUTININ IN COMPLEX WITH T-DISACCHARIDE | | Descriptor: | AGGLUTININ, FORMYL GROUP, TOLUENE, ... | | Authors: | Transue, T.R, Smith, A.K, Mo, H, Goldstein, I.J, Saper, M.A. | | Deposit date: | 1997-07-23 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of benzyl T-antigen disaccharide bound to Amaranthus caudatus agglutinin.
Nat.Struct.Biol., 4, 1997
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4NYB
 | | Crystal structure of the E. coli thiM riboswitch in complex with (4-(1,2,3-thiadiazol-4-yl)phenyl)methanamine | | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
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4NYG
 | | Crystal structure of the E. coli thiM riboswitch in complex with thiamine | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, thiM TPP riboswitch | | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
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4ATJ
 | | DISTAL HEME POCKET MUTANT (H42E) OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID | | Descriptor: | BENZHYDROXAMIC ACID, CALCIUM ION, PROTEIN (PEROXIDASE C1A), ... | | Authors: | Meno, K, Jennings, S, Smith, A.T, Henriksen, A, Gajhede, M. | | Deposit date: | 1999-04-19 | | Release date: | 2002-10-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of the two horseradish peroxidase catalytic residue variants H42E and R38S/H42E: implications for the catalytic cycle.
Acta Crystallogr.,Sect.D, 58, 2002
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1ATJ
 | | RECOMBINANT HORSERADISH PEROXIDASE C1A | | Descriptor: | CALCIUM ION, PEROXIDASE C1A, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gajhede, M, Schuller, D.J, Henriksen, A, Smith, A.T, Poulos, T.L. | | Deposit date: | 1997-08-14 | | Release date: | 1998-02-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of horseradish peroxidase C at 2.15 A resolution.
Nat.Struct.Biol., 4, 1997
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1KS9
 | | Ketopantoate Reductase from Escherichia coli | | Descriptor: | 2-DEHYDROPANTOATE 2-REDUCTASE | | Authors: | Matak-Vinkovic, D, Vinkovic, M, Saldanha, S.A, Ashurst, J.A, von Delft, F, Inoue, T, Miguel, R.N, Smith, A.G, Blundell, T.L, Abell, C. | | Deposit date: | 2002-01-11 | | Release date: | 2002-01-25 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism.
Biochemistry, 40, 2001
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1QHU
 | | MAMMALIAN BLOOD SERUM HAEMOPEXIN DEGLYCOSYLATED AND IN COMPLEX WITH ITS LIGAND HAEM | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, PROTEIN (HEMOPEXIN), ... | | Authors: | Paoli, M, Baker, H.M, Morgan, W.T, Smith, A, Baker, E.N. | | Deposit date: | 1999-05-27 | | Release date: | 1999-10-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of hemopexin reveals a novel high-affinity heme site formed between two beta-propeller domains.
Nat.Struct.Biol., 6, 1999
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3TM7
 | | Processed Aspartate Decarboxylase Mutant with Asn72 mutated to Ala | | Descriptor: | Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, SULFATE ION | | Authors: | Webb, M.E, Lobley, C.M.C, Soliman, F, Kilkenny, M.L, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2011-08-31 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Escherichia coli aspartate alpha-decarboxylase Asn72Ala: probing the role of Asn72 in pyruvoyl cofactor formation
Acta Crystallogr.,Sect.F, 68, 2012
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3HK1
 | | Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins | | Descriptor: | 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Hertzel, A.V, Hellberg, K, Reynolds, J.M, Kruse, A.C, Juhlmann, B.E, Smith, A.J, Sanders, M.A, Ohlendorf, D.H, Suttles, J, Bernlohr, D.A. | | Deposit date: | 2009-05-22 | | Release date: | 2009-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins.
J.Med.Chem., 52, 2009
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2M20
 | | EGFR transmembrane - juxtamembrane (TM-JM) segment in bicelles: MD guided NMR refined structure. | | Descriptor: | Epidermal growth factor receptor | | Authors: | Endres, N.F, Das, R, Smith, A, Arkhipov, A, Kovacs, E, Huang, Y, Pelton, J.G, Shan, Y, Shaw, D.E, Wemmer, D.E, Groves, J.T, Kuriyan, J. | | Deposit date: | 2012-12-11 | | Release date: | 2013-02-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Conformational Coupling across the Plasma Membrane in Activation of the EGF Receptor.
Cell(Cambridge,Mass.), 152, 2013
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1AW8
 | | PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE | | Descriptor: | L-ASPARTATE-ALPHA-DECARBOXYLASE | | Authors: | Albert, A, Dhanaraj, V, Genschel, U, Khan, G, Ramjee, M.K, Pulido, R, Sybanda, B.L, von Delf, F, Witty, M, Blundell, T.L, Smith, A.G, Abell, C. | | Deposit date: | 1997-10-12 | | Release date: | 1998-04-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of aspartate decarboxylase at 2.2 A resolution provides evidence for an ester in protein self-processing.
Nat.Struct.Biol., 5, 1998
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1E5V
 | | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | | Deposit date: | 2000-08-03 | | Release date: | 2000-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
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5C91
 | | NEDD4 HECT with covalently bound indole-based inhibitor | | Descriptor: | E3 ubiquitin-protein ligase NEDD4, methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate | | Authors: | Span, I, Smith, A.T, Kathman, S, Statsyuk, A.V, Rosenzweig, A.C. | | Deposit date: | 2015-06-26 | | Release date: | 2015-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism.
J. Am. Chem. Soc., 137, 2015
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3UUM
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3UUN
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3UUL
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1E60
 | | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | | Deposit date: | 2000-08-06 | | Release date: | 2000-08-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
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1E61
 | | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | | Deposit date: | 2000-08-06 | | Release date: | 2000-08-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
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5FI4
 | | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model | | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S. | | Deposit date: | 2015-12-22 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
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1YON
 | | Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate | | Descriptor: | 2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C. | | Deposit date: | 2005-01-28 | | Release date: | 2006-04-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
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1YJQ
 | | Crystal structure of ketopantoate reductase in complex with NADP+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ... | | Authors: | Lobley, C.M.C, Ciulli, A, Whitney, H.M, Williams, G, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2005-01-15 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.
Biochemistry, 44, 2005
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1H5N
 | | DMSO REDUCTASE MODIFIED BY THE PRESENCE OF DMS AND AIR | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM(VI) ION, ... | | Authors: | Bailey, S, Adams, B, Smith, A.T, Richards, R.L, Lowe, D.J, Bray, R.C. | | Deposit date: | 2001-05-22 | | Release date: | 2002-05-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reactions of Dimethyl Sulphoxide Reductase in the Presence of Dimethylsulphide and the Structure of the Dimethylsulphide-Modified Enzyme
Biochemistry, 40, 2001
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