2ZGG
 
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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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2OPW
 | | Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo) | | Descriptor: | PHYHD1 protein | | Authors: | Zhang, Z, Butler, D, McDonough, M.A, Kavanagh, K.L, Bray, J.E, Ng, S.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-30 | | Release date: | 2007-03-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
To be Published
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2OQ7
 | | The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2OQ6
 | | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2OX0
 | | Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9 | | Descriptor: | CHLORIDE ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ... | | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-19 | | Release date: | 2007-03-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2QC9
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2OS2
 | | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys36 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2OT7
 | | Crystal structure of JMJD2A complexed with histone H3 peptide monomethylated at Lys9 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-07 | | Release date: | 2007-03-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.135 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2VD7
 | | Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid | | Descriptor: | JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
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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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1WA6
 | | 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: | 2023-12-13 | | 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
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1VZ7
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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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1VZ8
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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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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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8P8Y
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 1657 | | Descriptor: | 3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-04 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 1657
To Be Published
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8P92
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2117 | | Descriptor: | 3-[(1~{S})-1-phenylethoxy]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2117
To Be Published
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8P95
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2407 | | Descriptor: | 3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2407
To Be Published
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8P93
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 | | Descriptor: | 3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2163
To Be Published
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8P9T
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2483 | | Descriptor: | 7-[(1~{S})-1-(4-azanylbutanoyloxy)ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2483
To Be Published
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8P9S
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2482 | | Descriptor: | 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2482
To Be Published
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