6ONZ
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![BU of 6onz by Molmil](/molmil-images/mine/6onz) | Dehaloperoxidase B in complex with substtrate 4-nitro-cresol | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-4-nitrophenol, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2019-04-22 | Release date: | 2019-09-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
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6VDW
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![BU of 6vdw by Molmil](/molmil-images/mine/6vdw) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Manganese(III) Porphyrin and Substrate 4-nitrophenol | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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6VD5
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![BU of 6vd5 by Molmil](/molmil-images/mine/6vd5) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate Trichlorophenol | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2019-12-23 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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6VDY
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![BU of 6vdy by Molmil](/molmil-images/mine/6vdy) | Crystal Structure of Dehaloperoxidase B wild type in Complex with Substrate Trichlorophenol | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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6VDV
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![BU of 6vdv by Molmil](/molmil-images/mine/6vdv) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Manganese(III)- Porphyrin and Substrate 4-bromophenol | Descriptor: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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2MHB
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![BU of 2mhb by Molmil](/molmil-images/mine/2mhb) | |
4HQI
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![BU of 4hqi by Molmil](/molmil-images/mine/4hqi) | Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex | Descriptor: | SPERMINE, STRONTIUM ION, Short modified nucleic acids | Authors: | Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P. | Deposit date: | 2012-10-25 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction. Nucleic Acids Res., 41, 2013
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2M11
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![BU of 2m11 by Molmil](/molmil-images/mine/2m11) | Structure of perimidinone-derived synthetic nucleoside paired with guanine in DNA duplex | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(D3N)P*GP*CP*G)-3') | Authors: | Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P. | Deposit date: | 2012-11-09 | Release date: | 2013-06-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction. Nucleic Acids Res., 41, 2013
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1W19
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![BU of 1w19 by Molmil](/molmil-images/mine/1w19) | Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)propane 1-phosphate | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S,5S)-1,2-DITHIANE-4,5-DIOL, ... | Authors: | Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2004-06-03 | Release date: | 2005-03-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,) Biochemistry, 44, 2005
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4OGX
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![BU of 4ogx by Molmil](/molmil-images/mine/4ogx) | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution | Descriptor: | DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ... | Authors: | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | Deposit date: | 2014-01-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody. J.Biol.Chem., 289, 2014
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1MG5
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![BU of 1mg5 by Molmil](/molmil-images/mine/1mg5) | Crystal structure of Drosophila melanogaster alcohol dehydrogenase complexed with NADH and acetate at 1.6 A | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, alcohol dehydrogenase | Authors: | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | Deposit date: | 2002-08-14 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Drosophila alcohol dehydrogenase: acetate-enzyme interactions and novel insights into the effects of electrostatics on catalysis J.Mol.Biol., 345, 2005
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3HI8
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![BU of 3hi8 by Molmil](/molmil-images/mine/3hi8) | Crystal structure of proliferating cell nuclear antigen (PCNA) from Haloferax volcanii | Descriptor: | Proliferating cell nuclear antigen PcnA | Authors: | Morgunova, E, Gray, F.C, MacNeill, S.A, Ladenstein, R. | Deposit date: | 2009-05-19 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Structural insights into the adaptation of proliferating cell nuclear antigen (PCNA) from Haloferax volcanii to a high-salt environment. Acta Crystallogr.,Sect.D, 65, 2009
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7RQ8
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![BU of 7rq8 by Molmil](/molmil-images/mine/7rq8) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.50A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G. | Deposit date: | 2021-08-06 | Release date: | 2021-10-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A synthetic antibiotic class overcoming bacterial multidrug resistance. Nature, 599, 2021
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7RQ9
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![BU of 7rq9 by Molmil](/molmil-images/mine/7rq9) | Crystal structure of the A2058-dimethylated Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.60A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G. | Deposit date: | 2021-08-06 | Release date: | 2021-10-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A synthetic antibiotic class overcoming bacterial multidrug resistance. Nature, 599, 2021
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5VLX
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![BU of 5vlx by Molmil](/molmil-images/mine/5vlx) | Dehaloperoxidase B mutant F21W | Descriptor: | Dehaloperoxidase B, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2017-04-26 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective tuning of activity in a multifunctional enzyme as revealed in the F21W mutant of dehaloperoxidase B from Amphitrite ornata. J. Biol. Inorg. Chem., 23, 2018
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7LZO
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![BU of 7lzo by Molmil](/molmil-images/mine/7lzo) | DHP B in complex with 2,4-Dibromophenol substrate | Descriptor: | 2,4-bis(bromanyl)phenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase To Be Published
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7LZK
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![BU of 7lzk by Molmil](/molmil-images/mine/7lzk) | DHP B in complex with 2,4-Dichlorophenol substrate | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase To Be Published
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7LZN
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![BU of 7lzn by Molmil](/molmil-images/mine/7lzn) | DHP B in complex with 2,4-Dichlorophenol substrate | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase To Be Published
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7M0H
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![BU of 7m0h by Molmil](/molmil-images/mine/7m0h) | DHP B in complex with 4-chlorophenol ligand | Descriptor: | 4-chlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-08-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase To Be Published
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7M0F
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![BU of 7m0f by Molmil](/molmil-images/mine/7m0f) | DHP B in complex with 4-bromophenol ligand | Descriptor: | 4-BROMOPHENOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-08-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase To Be Published
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5VTT
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![BU of 5vtt by Molmil](/molmil-images/mine/5vtt) | Dehaloperoxidase B Y38F mutant | Descriptor: | Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2017-05-18 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Probing the Structure-Function Relationship of a Multifunctional Enzyme using Crystallographic Diffraction Methods Thesis, North Carolina State University, 2017
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2VLD
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![BU of 2vld by Molmil](/molmil-images/mine/2vld) | crystal structure of a repair endonuclease from Pyrococcus abyssi | Descriptor: | Endonuclease NucS | Authors: | Ren, B, Kuhn, J, Meslet-Cladiere, L, Briffotaux, J, Norais, C, Lavigne, R, Flament, D, Ladenstein, R, Myllykallio, H. | Deposit date: | 2008-01-14 | Release date: | 2009-05-19 | Last modified: | 2018-09-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and function of a novel endonuclease acting on branched DNA substrates. EMBO J., 28, 2009
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4V7G
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![BU of 4v7g by Molmil](/molmil-images/mine/4v7g) | Crystal Structure of Lumazine Synthase from Bacillus Anthracis | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R. | Deposit date: | 2009-09-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis. Acta Crystallogr.,Sect.D, 66, 2010
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2ATC
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![BU of 2atc by Molmil](/molmil-images/mine/2atc) | CRYSTAL AND MOLECULAR STRUCTURES OF NATIVE AND CTP-LIGANDED ASPARTATE CARBAMOYLTRANSFERASE FROM ESCHERICHIA COLI | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN, REGULATORY CHAIN, ... | Authors: | Honzatko, R.B, Crawford, J.L, Monaco, H.L, Ladner, J.E, Edwards, B.F.P, Evans, D.R, Warren, S.G, Wiley, D.C, Ladner, R.C, Lipscomb, W.N. | Deposit date: | 1982-03-24 | Release date: | 1982-12-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal and molecular structures of native and CTP-liganded aspartate carbamoyltransferase from Escherichia coli. J.Mol.Biol., 160, 1982
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8DOH
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![BU of 8doh by Molmil](/molmil-images/mine/8doh) | Dehaloperoxidase B in complex with Bisphenol F | Descriptor: | 4,4'-methylenediphenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | Deposit date: | 2022-07-13 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase. J.Inorg.Biochem., 238, 2023
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