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1VZ8
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BU of 1vz8 by Molmil
Ornithine Acetyltransferase (ORF6 Gene Product - Clavulanic Acid Biosynthesis) from Streptomyces clavuligerus (SeMet structure)
Descriptor: ORNITHINE ACETYL-TRANSFERASE, SULFATE ION
Authors:Elkins, J.M, Kershaw, N.J, Schofield, C.J.
Deposit date:2004-05-14
Release date:2004-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-Ray Crystal Structure of Ornithine Acetyltransferase from the Clavulanic Acid Biosynthesis Gene Cluster.
Biochem.J., 385, 2005
1VZ7
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BU of 1vz7 by Molmil
Ornithine Acetyltransferase (ORF6 Gene Product - Clavulanic Acid Biosynthesis) from Streptomyces clavuligerus
Descriptor: ORNITHINE ACETYL-TRANSFERASE, SULFATE ION
Authors:Elkins, J.M, Kershaw, N.J, Schofield, C.J.
Deposit date:2004-05-14
Release date:2004-09-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Crystal Structure of Ornithine Acetyltransferase from the Clavulanic Acid Biosynthesis Gene Cluster.
Biochem.J., 385, 2005
1W9Y
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BU of 1w9y by Molmil
The structure of ACC oxidase
Descriptor: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, SULFATE ION
Authors:Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J.
Deposit date:2004-10-20
Release date:2005-10-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme)
Chem.Biol., 11, 2004
2WA4
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BU of 2wa4 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide
Descriptor: FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ...
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2WA3
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BU of 2wa3 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid
Descriptor: 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
1VZ6
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BU of 1vz6 by Molmil
Ornithine Acetyltransferase (ORF6 Gene Product - Clavulanic Acid Biosynthesis) from Streptomyces clavuligerus
Descriptor: ORNITHINE ACETYL-TRANSFERASE, SULFATE ION
Authors:Elkins, J.M, Kershaw, N.J, Schofield, C.J.
Deposit date:2004-05-14
Release date:2004-09-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-Ray Crystal Structure of Ornithine Acetyltransferase from the Clavulanic Acid Biosynthesis Gene Cluster.
Biochem.J., 385, 2005
1WA6
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BU of 1wa6 by Molmil
The structure of ACC oxidase
Descriptor: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, FE (II) ION, PHOSPHATE ION, ...
Authors:Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J.
Deposit date:2004-10-25
Release date:2005-10-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme)
Chem.Biol., 11, 2004
7AEG
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BU of 7aeg by Molmil
SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
2W0X
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BU of 2w0x by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID
Descriptor: FE (II) ION, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ...
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2008-10-10
Release date:2009-11-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
1NX4
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BU of 1nx4 by Molmil
The crystal structure of carbapenem synthase (CarC)
Descriptor: 2-OXOGLUTARIC ACID, Carbapenem synthase, FE (III) ION
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-08
Release date:2003-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
7AEH
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BU of 7aeh by Molmil
SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1
Descriptor: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
1UPC
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BU of 1upc by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus
Descriptor: CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ...
Authors:Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J.
Deposit date:2003-09-29
Release date:2003-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway
J.Biol.Chem., 279, 2004
2VZK
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BU of 2vzk by Molmil
Structure of the acyl-enzyme complex of an N-terminal nucleophile (Ntn) hydrolase, OAT2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, ...
Authors:Iqbal, A, Clifton, I.J, Schofield, C.J.
Deposit date:2008-08-01
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Anatomy of a Simple Acyl Intermediate in Enzyme Catalysis: Combined Biophysical and Modeling Studies on Ornithine Acetyl Transferase.
J.Am.Chem.Soc., 131, 2009
1UPA
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BU of 1upa by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus (SeMet structure)
Descriptor: CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ...
Authors:Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J.
Deposit date:2003-09-29
Release date:2003-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway
J.Biol.Chem., 279, 2004
1UPB
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BU of 1upb by Molmil
Carboxyethylarginine synthase from Streptomyces clavuligerus
Descriptor: CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ...
Authors:Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J.
Deposit date:2003-09-29
Release date:2003-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway
J.Biol.Chem., 279, 2004
2V4I
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BU of 2v4i by Molmil
Structure of a novel N-acyl-enzyme intermediate of an N-terminal nucleophile (Ntn) hydrolase, OAT2
Descriptor: GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN
Authors:Iqbal, A, Clifton, I.J, Schofield, C.J.
Deposit date:2008-09-22
Release date:2008-10-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Novel N-Acyl-Enzyme Intermediate of an N-Terminal Nucleophile (Ntn) Hydrolase, Oat2
To be Published
1QIX
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BU of 1qix by Molmil
Porcine pancreatic elastase complexed with human beta-casomorphin-7
Descriptor: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE, ...
Authors:Wilmouth, R.C, Clifton, I.J, Hajdu, J, Schofield, C.J.
Deposit date:1999-06-18
Release date:1999-12-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase
Nat.Struct.Biol., 4, 1997
6YVW
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BU of 6yvw by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with monocyclic BB-328
Descriptor: 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid, Egl nine homolog 1, FE (III) ION, ...
Authors:Chowdhury, R, Banerji, B, Schofield, C.J.
Deposit date:2020-04-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW1
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BU of 6yw1 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
Descriptor: 2-OXOGLUTARIC ACID, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW2
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BU of 6yw2 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic FG2216 and RaPID-derived cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW3
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BU of 6yw3 by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) in complex with N-Oxalyl Glycine (NOG), HIF-1ALPHA CODD (556-574) and a RaPID-derived cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW0
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BU of 6yw0 by Molmil
Lysine-N,N-Dimethylated HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with BB-287
Descriptor: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YVX
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BU of 6yvx by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287
Descriptor: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Banerji, B, Schofield, C.J.
Deposit date:2020-04-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW4
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BU of 6yw4 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG) and a RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YVZ
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BU of 6yvz by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic JLS-367
Descriptor: 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Sorensen, J.L, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020

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