8A1M
| Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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8A1O
| Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8 | Descriptor: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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6H9J
| Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (229-255) | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | Deposit date: | 2018-08-04 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (229-255) To Be Published
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6HC8
| Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339) | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | Deposit date: | 2018-08-14 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339) To Be Published
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8AHO
| Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyanamide analogue 31 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, NITRATE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-07-22 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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6HKP
| Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP2 (970-992) | Descriptor: | Apoptosis-stimulating of p53 protein 2, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | Leissing, T.M, Clifton, I.J, Lu, X, Schofield, C.J. | Deposit date: | 2018-09-07 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP2 (970-992) To Be Published
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8BAY
| Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | Descriptor: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | Authors: | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | Deposit date: | 2022-10-12 | Release date: | 2022-11-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2. J.Biol.Chem., 299, 2023
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6HA6
| Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246) | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | Deposit date: | 2018-08-07 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246) To Be Published
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6HL5
| Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954) | Descriptor: | Apoptosis-stimulating of p53 protein 1, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J. | Deposit date: | 2018-09-10 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954) To Be Published
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2ZGG
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2Y34
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2Y33
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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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2ZGD
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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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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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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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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: | 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
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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: | 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
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1VZ8
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1W9Y
| 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: | 2011-07-13 | 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
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1VZ6
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