5LBF
 
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5LAT
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1BTU
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID | | Descriptor: | (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid, CALCIUM ION, ELASTASE, ... | | Authors: | Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 1998-09-01 | | Release date: | 1999-02-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of elastase by N-sulfonylaryl beta-lactams: anatomy of a stable acyl-enzyme complex.
Biochemistry, 37, 1998
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1E5I
 | | DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE. | | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | | Authors: | Lee, H.J, Lloyd, M.D, Harlos, K, Clifton, I.J, Baldwin, J.E, Schofield, C.J. | | Deposit date: | 2000-07-26 | | Release date: | 2001-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
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1E5H
 | | DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE | | Descriptor: | CARBON DIOXIDE, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, ... | | Authors: | Lee, H.J, Lloyd, M.D, Harlos, K, Clifton, I.J, Baldwin, J.E, Schofield, C.J. | | Deposit date: | 2000-07-26 | | Release date: | 2001-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
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1GVG
 | | Crystal Structure of Clavaminate Synthase with Nitric Oxide | | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, DEOXYGUANIDINOPROCLAVAMINIC ACID, ... | | Authors: | Zhang, Z.H, Ren, J, McKinnon, C.H, Clifton, I.J, Harlos, K, Schofield, C.J. | | Deposit date: | 2002-02-12 | | Release date: | 2003-02-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal Structure of a Clavaminate Synthase-Fe(II) -2-Oxoglutarate-Substrate-No Complex: Evidence for Metal Centered Rearrangements
FEBS Lett., 517, 2002
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1HAY
 | | Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds | | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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1HAZ
 | | Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute | | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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1HB0
 | | Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes | | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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1HAX
 | | Snapshots of serine protease catalysis: (A) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 at pH 5 | | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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6ST3
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide | | Descriptor: | 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.426 Å) | | Cite: | Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
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3O2G
 | | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | | Descriptor: | 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ... | | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-22 | | Release date: | 2010-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
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3NJY
 | | Crystal structure of JMJD2A complexed with 5-carboxy-8-hydroxyquinoline | | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | King, O.N.F, Clifton, I.J, Wang, M, Maloney, D.J, Jadhav, A, Oppermann, U, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-06-18 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors
Plos One, 5, 2010
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3P3P
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3P3N
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3MS5
 | | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ... | | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-29 | | Release date: | 2010-05-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
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3PDQ
 | | Crystal structure of JMJD2A complexed with bipyridyl inhibitor | | Descriptor: | 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | | Authors: | King, O.N.F, Chang, K.-H, Rose, N.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-10-23 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Inhibition of histone demethylases by 4-carboxy-2,2'-bipyridyl compounds
Chemmedchem, 6, 2011
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3OBZ
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3OD4
 | | Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor | | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | King, O.N.F, Bashford-Rogers, R, Maloney, D.J, Jadhav, A, Heightman, T.D, Simeonov, A, Clifton, I.J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-08-10 | | Release date: | 2011-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
To be Published
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2A1X
 | | Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase | | Authors: | Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-21 | | Release date: | 2005-08-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease
J.Biol.Chem., 280, 2005
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2A7K
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme | | Descriptor: | CarB | | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2005-07-05 | | Release date: | 2005-08-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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2A81
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine | | Descriptor: | ACETYL COENZYME *A, BICINE, CarB | | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2005-07-07 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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2H1U
 | | Porcine pancreatic elastase complexed with MetPheLeuGlu at pH 5.0 | | Descriptor: | CALCIUM ION, Elastase-1, MFLE, ... | | Authors: | Liu, B, Schofield, C.J, Wilmouth, R.C. | | Deposit date: | 2006-05-17 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural analyses on intermediates in serine protease catalysis.
J.Biol.Chem., 281, 2006
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2YBK
 | | JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE | | Descriptor: | (2R)-2-hydroxypentanedioic acid, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-03-08 | | Release date: | 2011-04-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
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2YEP
 | | STRUCTURE OF AN N-TERMINAL NUCLEOPHILE (NTN) HYDROLASE, OAT2, IN COMPLEX WITH GLUTAMATE | | Descriptor: | ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN, ... | | Authors: | Chowdhury, R, Iqbal, A, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2011-03-29 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Biochemical Analyses Reveal How Ornithine Acetyl Transferase Binds Acidic and Basic Amino Acid Substrates.
Org.Biomol.Chem., 9, 2011
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