6RBJ
 
 | | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | | Descriptor: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ... | | Authors: | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | Deposit date: | 2019-04-10 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
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2QC9
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6RZ0
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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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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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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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4AI9
 | | JMJD2A Complexed with Daminozide | | Descriptor: | CHLORIDE ION, DAMINOZIDE, GLYCEROL, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2012-02-08 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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4AI8
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE | | Descriptor: | DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | | Authors: | King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A. | | Deposit date: | 2012-02-08 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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6F4P
 | | Human JMJD5 in complex with MN, NOG and RPS6 (129-144) (complex-1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, JmjC domain-containing protein 5, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
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6F4Q
 | | Human JMJD5 (Q275C) in complex with Mn(II), NOG and RPS6-A138C (129-144) (complex-2) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
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6EUM
 | | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | Deposit date: | 2017-10-30 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.18 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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6EW3
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 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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6EWE
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 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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6GDY
 | | Crystal structure of 2OG oxygenase JMJD6 (aa 1-343) in complex with Fe(II) and 2OG | | Descriptor: | 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | | Authors: | Islam, M.S, Schofield, C.J, McDonough, M.A. | | Deposit date: | 2018-04-24 | | Release date: | 2019-04-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Biochemical and structural investigations clarify the substrate selectivity of the 2-oxoglutarate oxygenase JMJD6.
J.Biol.Chem., 294, 2019
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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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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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6HL6
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693) | | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | | 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 (1.97 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
To Be Published
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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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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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6I30
 | | Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C | | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301 | | Authors: | Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2018-11-02 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.
Biochim Biophys Acta Gen Subj, 1863, 2019
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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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2Y34
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2Y33
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