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5MHJ
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BU of 5mhj by Molmil
ICP4 DNA-binding domain, lacking intrinsically disordered region, in complex with 12mer DNA duplex from its own promoter
Descriptor: ACETIC ACID, CHLORIDE ION, DNA (5'-D(P*CP*GP*AP*TP*CP*GP*TP*CP*C)-3'), ...
Authors:Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2016-11-24
Release date:2017-05-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
3GSI
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BU of 3gsi by Molmil
Crystal structure of D552A dimethylglycine oxidase mutant of Arthrobacter globiformis in complex with tetrahydrofolate
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Tralau, T, Lafite, P, Levy, C, Combe, J.P, Scrutton, N.S, Leys, D.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:An internal reaction chamber in dimethylglycine oxidase provides efficient protection from exposure to toxic formaldehyde.
J.Biol.Chem., 284, 2009
3IA5
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BU of 3ia5 by Molmil
Moritella profunda dihydrofolate reductase (DHFR)
Descriptor: Dihydrofolate reductase, PHOSPHATE ION
Authors:Hay, S, Evans, R.M, Levy, C, Wang, X, Loveridge, E.J, Leys, D, Allemann, R.K, Scrutton, N.S.
Deposit date:2009-07-13
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted?
Chembiochem, 10, 2009
3IVY
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BU of 3ivy by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, p212121 crystal form
Descriptor: Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IW2
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BU of 3iw2 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with econazole
Descriptor: 4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IP8
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BU of 3ip8 by Molmil
Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate
Descriptor: Arylmalonate decarboxylase, benzylphosphonic acid
Authors:Okrasa, K, Levy, C, Leys, D, Micklefield, J.
Deposit date:2009-08-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IW0
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BU of 3iw0 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, C2221 crystal form
Descriptor: Cytochrome P450 CYP125, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IW1
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BU of 3iw1 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with androstenedione
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3JSX
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BU of 3jsx by Molmil
X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1
Descriptor: 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Dunstan, M.S, Levy, C, Leys, D.
Deposit date:2009-09-11
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
6Y1T
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BU of 6y1t by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification
Descriptor: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
Authors:Ortmayer, M, Levy, C, Green, A.P.
Deposit date:2020-02-13
Release date:2021-06-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
6Y2Y
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BU of 6y2y by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with Trp51 to S-Trp51 and Trp191Phe modifications
Descriptor: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
Authors:Ortmayer, M, Levy, C, Green, A.P.
Deposit date:2020-02-17
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
6FAD
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BU of 6fad by Molmil
SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27
Descriptor: PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor
Authors:Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2017-12-15
Release date:2019-09-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27.
Mbio, 10, 2019
6H08
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BU of 6h08 by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution
Descriptor: COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ...
Authors:Ortmayer, M, Levy, C, Green, A.P.
Deposit date:2018-07-06
Release date:2020-02-12
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code.
Acs Catalysis, 10, 2020
6HAU
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BU of 6hau by Molmil
KSHV PAN RNA Mta-response element fragment complexed with the globular domain of herpesvirus saimiri ORF57
Descriptor: ACETATE ION, MRE fragment of PAN RNA, ZINC ION, ...
Authors:Tunnicliffe, R.B, Levy, C, Ruiz Nivia, H.D, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2018-08-08
Release date:2018-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural identification of conserved RNA binding sites in herpesvirus ORF57 homologs: implications for PAN RNA recognition.
Nucleic Acids Res., 47, 2019
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Ortmayer, M, Levy, C.
Deposit date:2022-12-29
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
5LIE
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BU of 5lie by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with imidazole
Descriptor: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
Authors:Levy, C, Munro, A.W, Leys, D.
Deposit date:2016-07-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
5LI7
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BU of 5li7 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea
Descriptor: 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
Authors:Levy, C, Munro, A.W, Leys, D.
Deposit date:2016-07-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
5LI8
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BU of 5li8 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole
Descriptor: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
Authors:Levy, C, Munro, A.W, Leys, D.
Deposit date:2016-07-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
5IBG
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BU of 5ibg by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b
Descriptor: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBH
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BU of 5ibh by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.0201 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBF
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BU of 5ibf by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a
Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBD
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BU of 5ibd by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a
Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBI
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BU of 5ibi by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBE
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BU of 5ibe by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBJ
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BU of 5ibj by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6
Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016

226707

数据于2024-10-30公开中

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