3ATJ
 
 | | HEME LIGAND MUTANT OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID | | Descriptor: | BENZHYDROXAMIC ACID, CALCIUM ION, PROTEIN (HORSERADISH PEROXIDASE C1A), ... | | Authors: | Meno, K, White, C.G, Smith, A.T, Gajhede, M. | | Deposit date: | 1998-12-16 | | Release date: | 1999-04-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Catalytical Implications of a F221M Mutation in the Proximal Pocket of Horseradish Peroxidase C (HRP C)
To be Published
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6P8C
 | | 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus | | Descriptor: | 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S. | | Deposit date: | 2019-06-06 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
To Be Published
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6PNL
 | | Structure of Epimerase Mth375 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of a UDP-GALE 4-epimerase (Mth375) from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus
To Be Published
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6PMH
 | | Structure of Epimerase Mth375 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S. | | Deposit date: | 2019-07-01 | | Release date: | 2020-07-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a UDP-GALE 4-epimerase (Mth375) from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus
To Be Published
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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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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: | 2023-08-02 | | 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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1PYQ
 | | Unprocessed Aspartate Decarboxylase Mutant, with Alanine inserted at position 24 | | Descriptor: | Aspartate 1-decarboxylase, SULFATE ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-07-09 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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1PPY
 | | Native precursor of pyruvoyl dependent Aspartate decarboxylase | | Descriptor: | Aspartate 1-decarboxylase precursor, SULFATE ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-17 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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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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1PT0
 | | Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with an Alanine insertion at position 26 | | Descriptor: | Aspartate 1-decarboxylase, SULFATE ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-22 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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1PT1
 | | Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with Histidine 11 Mutated to Alanine | | Descriptor: | Aspartate 1-decarboxylase, SULFATE ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-22 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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1PQH
 | | Serine 25 to Threonine mutation of aspartate decarboxylase | | Descriptor: | Aspartate 1-decarboxylase, MALONIC ACID, SODIUM ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-18 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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4NYC
 | | Crystal structure of the E. coli thiM riboswitch in complex with thieno[2,3-b]pyrazin-7-amine | | Descriptor: | MAGNESIUM ION, MANGANESE (II) 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 (3.15 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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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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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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1PQF
 | | Glycine 24 to Serine mutation of aspartate decarboxylase | | Descriptor: | Aspartate 1-decarboxylase, SULFATE ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-18 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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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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1PYU
 | | Processed Aspartate Decarboxylase Mutant with Ser25 mutated to Cys | | Descriptor: | Aspartate 1-decarboxylase alfa chain, Aspartate 1-decarboxylase beta chain, SULFATE ION | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-07-09 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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1PQE
 | | S25A mutant of pyruvoyl dependent aspartate decarboxylase | | Descriptor: | Aspartate 1-decarboxylase | | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2003-06-18 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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1K5M
 | | Crystal Structure of a Human Rhinovirus Type 14:Human Immunodeficiency Virus Type 1 V3 Loop Chimeric Virus MN-III-2 | | Descriptor: | CHIMERA OF HRV14 COAT PROTEIN VP2 (P1B) AND the V3 loop of HIV-1 gp120, COAT PROTEIN VP1 (P1D), COAT PROTEIN VP3 (P1C), ... | | Authors: | Ding, J, Smith, A.D, Geisler, S.C, Ma, X, Arnold, G.F, Arnold, E. | | Deposit date: | 2001-10-11 | | Release date: | 2002-07-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of a Human Rhinovirus
that Displays Part of the HIV-1 V3 Loop and
Induces Neutralizing Antibodies against
HIV-1
Structure, 10, 2002
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1M3U
 | | Crystal Structure of Ketopantoate Hydroxymethyltransferase complexed the Product Ketopantoate | | Descriptor: | 3-methyl-2-oxobutanoate hydroxymethyltransferase, KETOPANTOATE, MAGNESIUM ION | | Authors: | von Delft, F, Inoue, T, Saldanha, S.A, Ottenhof, H.H, Dhanaraj, V, Witty, M, Abell, C, Smith, A.G, Blundell, T.L. | | Deposit date: | 2002-06-30 | | Release date: | 2003-07-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites.
Structure, 11, 2003
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2BDO
 | | SOLUTION STRUCTURE OF HOLO-BIOTINYL DOMAIN FROM ACETYL COENZYME A CARBOXYLASE OF ESCHERICHIA COLI DETERMINED BY TRIPLE-RESONANCE NMR SPECTROSCOPY | | Descriptor: | BIOTIN, PROTEIN (ACETYL-COA CARBOXYLASE) | | Authors: | Roberts, E.L, Shu, N, Howard, M.J, Broadhurst, R.W, Chapman-Smith, A, Wallace, J.C, Morris, T, Cronan, J.E, Perham, R.N. | | Deposit date: | 1999-03-03 | | Release date: | 1999-04-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structures of apo and holo biotinyl domains from acetyl coenzyme A carboxylase of Escherichia coli determined by triple-resonance nuclear magnetic resonance spectroscopy.
Biochemistry, 38, 1999
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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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1IHO
 | | CRYSTAL APO-STRUCTURE OF PANTOTHENATE SYNTHETASE FROM E. COLI | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PANTOATE--BETA-ALANINE LIGASE | | Authors: | von Delft, F, Lewendon, A, Dhanaraj, V, Blundell, T.L, Abell, C, Smith, A. | | Deposit date: | 2001-04-19 | | Release date: | 2001-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily.
Structure, 9, 2001
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1A9W
 | | HUMAN EMBRYONIC GOWER II CARBONMONOXY HEMOGLOBIN | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), ... | | Authors: | Sutherland-Smith, A.J, Baker, H.M, Hofmann, O.M, Brittain, T, Baker, E.N. | | Deposit date: | 1998-04-11 | | Release date: | 1998-06-17 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a human embryonic haemoglobin: the carbonmonoxy form of gower II (alpha2 epsilon2) haemoglobin at 2.9 A resolution.
J.Mol.Biol., 280, 1998
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