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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3T3Y
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3T4H
 | | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | | Authors: | Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-07-26 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
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1QIX
 | | 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
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2W0X
 | | 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
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2WA4
 | | 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
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2V4I
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2VZK
 | | 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
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2WA3
 | | 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
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2XUM
 | | FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER) | | Descriptor: | ASP-SUBSTRATE PEPTIDE 2, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ... | | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Asparagine and aspartate hydroxylation of the cytoskeletal ankyrin family is catalyzed by factor-inhibiting hypoxia-inducible factor.
J. Biol. Chem., 286, 2011
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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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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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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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5L9V
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5LY1
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer) | | Descriptor: | CHLORIDE ION, CP2, GLYCEROL, ... | | Authors: | King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J. | | Deposit date: | 2016-09-23 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
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5LY2
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer) | | Descriptor: | CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ... | | Authors: | Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J. | | Deposit date: | 2016-09-23 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
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5J4R
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5J8X
 | | CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA | | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2016-04-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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5JMX
 | | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | | Descriptor: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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1RXF
 | | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) | | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I. | | Deposit date: | 1998-06-05 | | Release date: | 1999-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a cephalosporin synthase.
Nature, 394, 1998
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1UPC
 | | 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: | 2011-07-13 | | 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
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1UPA
 | | 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: | 2011-07-13 | | 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
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1UPB
 | | 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: | 2011-07-13 | | 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
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