7YXJ
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![BU of 7yxj by Molmil](/molmil-images/mine/7yxj) | Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ... | Authors: | Chowdhury, R, Schofield, C.J. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans. Sci Rep, 12, 2022
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4NHL
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![BU of 4nhl by Molmil](/molmil-images/mine/4nhl) | Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-oxalylglycine (NOG) | Descriptor: | MANGANESE (II) ION, N-OXALYLGLYCINE, PKHD-type hydroxylase TPA1 | Authors: | Scotti, J.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-11-05 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases. Structure, 23, 2015
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4NHK
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![BU of 4nhk by Molmil](/molmil-images/mine/4nhk) | Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA) | Descriptor: | GLYCEROL, MANGANESE (II) ION, PKHD-type hydroxylase TPA1, ... | Authors: | Scotti, J.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-11-05 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases. Structure, 23, 2015
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4UWD
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![BU of 4uwd by Molmil](/molmil-images/mine/4uwd) | |
7ZCC
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![BU of 7zcc by Molmil](/molmil-images/mine/7zcc) | |
7Z4S
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![BU of 7z4s by Molmil](/molmil-images/mine/7z4s) | Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | Authors: | 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. | Deposit date: | 2022-03-04 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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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 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2022-03-08 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine. J.Med.Chem., 65, 2022
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8BBA
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![BU of 8bba by Molmil](/molmil-images/mine/8bba) | |
8BBD
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![BU of 8bbd by Molmil](/molmil-images/mine/8bbd) | |
8BBB
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![BU of 8bbb by Molmil](/molmil-images/mine/8bbb) | |
8BB9
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![BU of 8bb9 by Molmil](/molmil-images/mine/8bb9) | |
8BBC
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![BU of 8bbc by Molmil](/molmil-images/mine/8bbc) | |
8BK3
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![BU of 8bk3 by Molmil](/molmil-images/mine/8bk3) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1 | Descriptor: | 1,2-ETHANEDIOL, 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone, DIMETHYL SULFOXIDE, ... | Authors: | de Munnik, M, Schofield, C.J. | Deposit date: | 2022-11-08 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | alpha beta , alpha ' beta '-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes. Chem.Commun.(Camb.), 59, 2023
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8BSW
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![BU of 8bsw by Molmil](/molmil-images/mine/8bsw) | |
8BSY
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![BU of 8bsy by Molmil](/molmil-images/mine/8bsy) | |
8BSX
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![BU of 8bsx by Molmil](/molmil-images/mine/8bsx) | |
8BSV
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![BU of 8bsv by Molmil](/molmil-images/mine/8bsv) | |
7PSW
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![BU of 7psw by Molmil](/molmil-images/mine/7psw) | Spin labeled IPNS S55C variant in complex with Fe and ACV under anaerobic conditions | Descriptor: | FE (III) ION, GLYCEROL, Isopenicillin N synthase, ... | Authors: | Rabe, P, Clifton, I, Walla, C, Schofield, C.J. | Deposit date: | 2021-09-24 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | 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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1WA6
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![BU of 1wa6 by Molmil](/molmil-images/mine/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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7PJN
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![BU of 7pjn by Molmil](/molmil-images/mine/7pjn) | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | Descriptor: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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3HQR
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![BU of 3hqr by Molmil](/molmil-images/mine/3hqr) | PHD2:Mn:NOG:HIF1-alpha substrate complex | Descriptor: | Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2009-06-08 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases Structure, 17, 2009
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3HQU
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![BU of 3hqu by Molmil](/molmil-images/mine/3hqu) | PHD2:Fe:UN9:partial HIF1-alpha substrate complex | Descriptor: | Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2009-06-08 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases Structure, 17, 2009
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4V2V
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![BU of 4v2v by Molmil](/molmil-images/mine/4v2v) | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (25-29) ARK(me3)SA | Descriptor: | CHLORIDE ION, HISTONE H3.1T, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Chowdhury, R, Madden, S.K, Schofield, C.J. | Deposit date: | 2014-10-15 | Release date: | 2014-11-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates. Epigenetics, 9, 2014
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4V2W
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![BU of 4v2w by Molmil](/molmil-images/mine/4v2w) | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35) | Descriptor: | CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ... | Authors: | Chowdhury, R, Zafred, D, Schofield, C.J. | Deposit date: | 2014-10-15 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates. Epigenetics, 9, 2014
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7Q5X
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![BU of 7q5x by Molmil](/molmil-images/mine/7q5x) | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | Deposit date: | 2021-11-04 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2. Proteins, 91, 2023
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