5FQA
 
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II | | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ... | | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
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5FWE
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE | | Descriptor: | CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | | Deposit date: | 2016-02-15 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
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6T3D
 | | Crystal structure of AmpC from E.coli | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | | Deposit date: | 2019-10-10 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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7Z59
 | | SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative | | Descriptor: | (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5 | | Authors: | Owen, C.D, Malla, T.R, Brewitz, L, Lukacik, P, Strain-Damerell, C, Mikolajek, H, Muntean, D.G, Aslam, H, Salah, E, Tumber, A, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-03-08 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine.
J.Med.Chem., 65, 2022
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7Z4S
 | | Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | | Deposit date: | 2022-03-04 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease.
Nat.Chem., 15, 2023
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7ZCC
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1QGF
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J. | | Deposit date: | 1999-04-27 | | Release date: | 1999-12-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanistic insights into the inhibition of serine proteases by monocyclic lactams.
Biochemistry, 38, 1999
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1E34
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA- TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID) PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR ONE MINUTE | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2000-06-06 | | Release date: | 2000-10-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | `Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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1E36
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2000-06-06 | | Release date: | 2000-10-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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1E35
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-TOLUENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR TWO MINUTES | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2000-06-06 | | Release date: | 2000-10-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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5A3U
 | | HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | | Descriptor: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION | | Authors: | Chowdhury, R, Gomez-Perez, V, Schofield, C.J. | | Deposit date: | 2015-06-03 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
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1E37
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 1 MINUTE | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2000-06-06 | | Release date: | 2000-10-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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1E38
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 2 MINUTES | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2000-06-06 | | Release date: | 2000-10-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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1GP5
 | | Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin | | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | | Deposit date: | 2001-10-30 | | Release date: | 2002-02-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
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1YCI
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1GP6
 | | Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin (with 30 min exposure to O2) | | Descriptor: | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ... | | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | | Deposit date: | 2001-10-30 | | Release date: | 2002-02-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
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1OC1
 | | ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE COMPLEX | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J. | | Deposit date: | 2003-02-03 | | Release date: | 2004-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate
Biochem.J., 372, 2003
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1OBN
 | | ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ... | | Authors: | Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J. | | Deposit date: | 2003-01-31 | | Release date: | 2004-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate.
Biochem.J., 372, 2003
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2BDA
 | | Porcine pancreatic elastase complexed with N-acetyl-NPI and Ala-Ala at pH 5.0 | | Descriptor: | ALANINE, CALCIUM ION, Elastase-1, ... | | Authors: | Liu, B, Schofield, C.J, Wilmouth, R.C. | | Deposit date: | 2005-10-20 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
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2BDC
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2BDB
 | | Porcine pancreatic elastase complexed with Asn-Pro-Ile and Ala-Ala at pH 5.0 | | Descriptor: | ALANINE, CALCIUM ION, Elastase-1, ... | | Authors: | Liu, B, Schofield, C.J, Wilmouth, R.C. | | Deposit date: | 2005-10-20 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
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7WKV
 | | Crystal structure of human ALKBH5 in complex with 2-oxoglutarate (2OG) and m6A-containing ssRNA | | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2022-01-11 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7WL0
 | | Crystal structure of human ALKBH5 in complex with N-oxalylglycine (NOG) and m6A-containing ssRNA | | Descriptor: | FORMIC ACID, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2022-01-12 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7V4G
 | | Crystal structure of human ALKBH5 in complex with m6A-containing ssRNA | | Descriptor: | GLYCEROL, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2021-08-13 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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2ILM
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