5FWE
 
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE | | 分子名称: | CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | 著者 | Chowdhury, R, Walport, L.J, Schofield, C.J. | | 登録日 | 2016-02-15 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
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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 | | 最終更新日 | 2024-10-16 | | 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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5FQ9
 | | Crystal structure of the OXA10 with 1C | | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | | 著者 | Brem, J, McDonough, M.A, Cain, R, Clifton, I, 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 (1.5 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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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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8BBD
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8BB9
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8BBC
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8BBA
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8BBB
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8BK3
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone, DIMETHYL SULFOXIDE, ... | | 著者 | de Munnik, M, Schofield, C.J. | | 登録日 | 2022-11-08 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | alpha beta , alpha ' beta '-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.
Chem.Commun.(Camb.), 59, 2023
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8BSY
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8BSX
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8BSW
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8BSV
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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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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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7Z4S
 | | Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | | 登録日 | 2022-03-04 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease.
Nat.Chem., 15, 2023
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7ZCC
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2JE5
 | | STRUCTURAL AND MECHANISTIC BASIS OF PENICILLIN BINDING PROTEIN INHIBITION BY LACTIVICINS | | 分子名称: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | | 著者 | Macheboeuf, P, Fisher, D.S, Brown, T.J, Zervosen, A, Luxen, A, Joris, B, Dessen, A, Schofield, C.J. | | 登録日 | 2007-01-15 | | 公開日 | 2007-08-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and Mechanistic Basis of Penicillin-Binding Protein Inhibition by Lactivicins
Nat.Chem.Biol., 3, 2007
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2JAH
 | | Biochemical and structural analysis of the Clavulanic acid dehydeogenase (CAD) from Streptomyces clavuligerus | | 分子名称: | CLAVULANIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I. | | 登録日 | 2006-11-28 | | 公開日 | 2007-02-20 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
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2IHU
 | | Carboxyethylarginine synthase from Streptomyces clavuligerus: putative reaction intermediate complex | | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2- METHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM, Carboxyethylarginine synthase, ... | | 著者 | Caines, M.E, Schofield, C.J. | | 登録日 | 2006-09-27 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural and mechanistic studies on N(2)-(2-carboxyethyl)arginine synthase.
Biochem.Biophys.Res.Commun., 385, 2009
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2IHT
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2IHV
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4IDZ
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-oxalylglycine (NOG) | | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-OXALYLGLYCINE, ... | | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | | 登録日 | 2012-12-13 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
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4GD4
 | | Crystal Structure of JMJD2A Complexed with Inhibitor | | 分子名称: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | | 著者 | King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC) | | 登録日 | 2012-07-31 | | 公開日 | 2012-08-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal Structure of JMJD2A Complexed with Inhibitor
TO BE PUBLISHED
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