8P7O
 
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8P7P
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4V0H
 | | Human metallo beta lactamase domain containing protein 1 (hMBLAC1) | | 分子名称: | FE (III) ION, GLYCEROL, METALLO-BETA-LACTAMASE DOMAIN-CONTAINING PROTEIN 1 1 | | 著者 | Pettinati, I, McDonough, M.A, Brem, J, Schofield, C.J. | | 登録日 | 2014-09-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Biosynthesis of histone messenger RNA employs a specific 3' end endonuclease.
Elife, 7, 2018
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5OX6
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | | 分子名称: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Chowdhury, R, Zhang, D, Schofield, C.J. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OX5
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | | 分子名称: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | | 著者 | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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7NRO
 | | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | | 分子名称: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | 著者 | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | | 登録日 | 2021-03-04 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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5FQB
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | | 分子名称: | (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, BETA-LACTAMASE 2, GLYCEROL, ... | | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2015-12-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | 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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5FQC
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | | 分子名称: | (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, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... | | 著者 | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | 登録日 | 2015-12-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | | 主引用文献 | 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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6RBI
 | | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | | 分子名称: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | | 著者 | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2019-04-10 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
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6RBJ
 | | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | | 分子名称: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ... | | 著者 | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2019-04-10 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | | 主引用文献 | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
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3D8C
 | | Factor inhibiting HIF-1 alpha D201G mutant in complex with ZN(II), alpha-ketoglutarate and HIF-1 alpha 19mer | | 分子名称: | 2-OXOGLUTARIC ACID, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ... | | 著者 | McDonough, M.A, Chowdhury, R, Schofield, C.J. | | 登録日 | 2008-05-23 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH).
J.Biol.Chem., 283, 2008
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2G1M
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3U4S
 | | Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine | | 分子名称: | HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ... | | 著者 | Ma, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2011-10-10 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
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5OPC
 | | Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat | | 分子名称: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D. | | 登録日 | 2017-08-09 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OP8
 | | Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat | | 分子名称: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X. | | 登録日 | 2017-08-09 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5T66
 | | Crystal Structure of CTX-M-15 with 1C | | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2016-09-01 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | | 主引用文献 | Cyclic Boronates Inhibit All Classes of beta-Lactamases.
Antimicrob. Agents Chemother., 61, 2017
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5J8X
 | | CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C | | 分子名称: | (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 | | 著者 | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | 登録日 | 2016-04-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | 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 | | 分子名称: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | | 登録日 | 2016-04-29 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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2QC9
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4UWD
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1WA6
 | | The structure of ACC oxidase | | 分子名称: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, FE (II) ION, PHOSPHATE ION, ... | | 著者 | Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J. | | 登録日 | 2004-10-25 | | 公開日 | 2005-10-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | 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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7PSW
 | | Spin labeled IPNS S55C variant in complex with Fe and ACV under anaerobic conditions | | 分子名称: | FE (III) ION, GLYCEROL, Isopenicillin N synthase, ... | | 著者 | Rabe, P, Clifton, I, Walla, C, Schofield, C.J. | | 登録日 | 2021-09-24 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase.
J.Biol.Chem., 298, 2022
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7YXK
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7YXL
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