4TYT
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![BU of 4tyt by Molmil](/molmil-images/mine/4tyt) | Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ... | 著者 | Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-07-09 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | 主引用文献 | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition. Nat.Chem., 6, 2014
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4TYF
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![BU of 4tyf by Molmil](/molmil-images/mine/4tyf) | Structure of a Metallo-beta-lactamase | 分子名称: | NDM-4, ZINC ION | 著者 | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-07-08 | 公開日 | 2015-07-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structure of a Metallo-beta-lactamase To Be Published
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7Z59
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![BU of 7z59 by Molmil](/molmil-images/mine/7z59) | SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative | 分子名称: | (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 | 著者 | 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. | 登録日 | 2022-03-08 | 公開日 | 2022-06-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine. J.Med.Chem., 65, 2022
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1DCS
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![BU of 1dcs by Molmil](/molmil-images/mine/1dcs) | DEACETOXYCEPHALOSPORIN C SYNTHASE FROM S. CLAVULIGERUS | 分子名称: | DEACETOXYCEPHALOSPORIN C SYNTHASE, SULFATE ION | 著者 | 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. | 登録日 | 1998-06-05 | 公開日 | 1999-06-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure of a cephalosporin synthase. Nature, 394, 1998
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1DRY
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![BU of 1dry by Molmil](/molmil-images/mine/1dry) | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE | 分子名称: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | 著者 | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | 登録日 | 2000-01-06 | 公開日 | 2000-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1DS1
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![BU of 1ds1 by Molmil](/molmil-images/mine/1ds1) | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE | 分子名称: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | 著者 | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | 登録日 | 2000-01-06 | 公開日 | 2000-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1DRT
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![BU of 1drt by Molmil](/molmil-images/mine/1drt) | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID | 分子名称: | 2-OXOGLUTARIC ACID, 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID, CLAVAMINATE SYNTHASE 1, ... | 著者 | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | 登録日 | 2000-01-06 | 公開日 | 2000-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1DS0
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![BU of 1ds0 by Molmil](/molmil-images/mine/1ds0) | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE | 分子名称: | ACETATE ION, CLAVAMINATE SYNTHASE 1, SULFATE ION | 著者 | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | 登録日 | 2000-01-06 | 公開日 | 2000-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1E5S
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![BU of 1e5s by Molmil](/molmil-images/mine/1e5s) | Proline 3-hydroxylase (type II) - Iron form | 分子名称: | FE (II) ION, PROLINE OXIDASE, SULFATE ION | 著者 | Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K. | 登録日 | 2000-07-28 | 公開日 | 2001-07-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases. Eur.J.Biochem., 268, 2001
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7ZOE
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![BU of 7zoe by Molmil](/molmil-images/mine/7zoe) | |
8A1N
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![BU of 8a1n by Molmil](/molmil-images/mine/8a1n) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13 | 分子名称: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 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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8A1M
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![BU of 8a1m by Molmil](/molmil-images/mine/8a1m) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | 分子名称: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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8A1K
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![BU of 8a1k by Molmil](/molmil-images/mine/8a1k) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ebsulfur analogue 15 | 分子名称: | 1,2-ETHANEDIOL, 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide, DIMETHYL SULFOXIDE, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 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
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![BU of 8a1o by Molmil](/molmil-images/mine/8a1o) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8 | 分子名称: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 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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8A1L
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![BU of 8a1l by Molmil](/molmil-images/mine/8a1l) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2 | 分子名称: | (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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8A1J
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![BU of 8a1j by Molmil](/molmil-images/mine/8a1j) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 3 | 分子名称: | 1,2-ETHANEDIOL, 1-phenylpyrrolidine-2,5-dione, DIMETHYL SULFOXIDE, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | 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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8A4G
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![BU of 8a4g by Molmil](/molmil-images/mine/8a4g) | |
2WA4
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![BU of 2wa4 by Molmil](/molmil-images/mine/2wa4) | FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide | 分子名称: | FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ... | 著者 | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | 登録日 | 2009-02-02 | 公開日 | 2010-04-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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8AHO
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![BU of 8aho by Molmil](/molmil-images/mine/8aho) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyanamide analogue 31 | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, NITRATE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-07-22 | 公開日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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2CGO
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![BU of 2cgo by Molmil](/molmil-images/mine/2cgo) | FACTOR INHIBITING HIF-1 ALPHA with fumarate | 分子名称: | FE (III) ION, FUMARIC ACID, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ... | 著者 | McDonough, M.A, Clifton, I.J, Schofield, C.J. | 登録日 | 2006-03-09 | 公開日 | 2006-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates. J.Biol.Chem., 282, 2007
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2CGN
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![BU of 2cgn by Molmil](/molmil-images/mine/2cgn) | FACTOR INHIBITING HIF-1 ALPHA with succinate | 分子名称: | FE (III) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, SUCCINIC ACID, ... | 著者 | McDonough, M.A, Clifton, I.J, Schofield, C.J. | 登録日 | 2006-03-09 | 公開日 | 2006-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates. J.Biol.Chem., 282, 2007
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2W0X
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![BU of 2w0x by Molmil](/molmil-images/mine/2w0x) | FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID | 分子名称: | FE (II) ION, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ... | 著者 | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | 登録日 | 2008-10-10 | 公開日 | 2009-11-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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8BAY
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![BU of 8bay by Molmil](/molmil-images/mine/8bay) | Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | 分子名称: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | 著者 | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | 登録日 | 2022-10-12 | 公開日 | 2022-11-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 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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2BRT
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![BU of 2brt by Molmil](/molmil-images/mine/2brt) | ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, LEUCOANTHOCYANIDIN DIOXYGENASE, ... | 著者 | Turnbull, J.J, Clifton, I.J, Welford, R.W.D, Schofield, C.J. | 登録日 | 2005-05-11 | 公開日 | 2006-08-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: The Effect of C-2 Stereochemistry on Product Selectivity and Mechanism Org.Biomol.Chem., 3, 2005
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2XUM
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![BU of 2xum by Molmil](/molmil-images/mine/2xum) | FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER) | 分子名称: | ASP-SUBSTRATE PEPTIDE 2, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ... | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | 登録日 | 2010-10-19 | 公開日 | 2010-12-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Asparagine and aspartate hydroxylation of the cytoskeletal ankyrin family is catalyzed by factor-inhibiting hypoxia-inducible factor. J. Biol. Chem., 286, 2011
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