7NQO
 
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | Authors: | Selvam, I.R. | | Deposit date: | 2021-03-01 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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8C73
 | | Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition form ll | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator | | Authors: | Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M. | | Deposit date: | 2023-01-12 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
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8C76
 | | Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s | | Descriptor: | COBALAMIN, Probable transcriptional regulator | | Authors: | Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M. | | Deposit date: | 2023-01-12 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
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3U99
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3TE7
 | | Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 5a1 | | Descriptor: | 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Dunstan, M.S. | | Deposit date: | 2011-08-12 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones.
J.Med.Chem., 54, 2011
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5FHR
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5HY5
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5IBH
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5IBG
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5IBF
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5IBD
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5IBI
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5IBE
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5IBJ
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5EDT
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9 | | Descriptor: | 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C. | | Deposit date: | 2015-10-22 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
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5FHQ
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5LOC
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5LOA
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3E6D
 | | Crystal Structure of CprK C200S | | Descriptor: | Cyclic nucleotide-binding protein | | Authors: | Levy, C. | | Deposit date: | 2008-08-15 | | Release date: | 2008-09-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
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4Z43
 | | Crystal structure of Tryptophan 7-halogenase (PrnA) Mutant E450K | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ... | | Authors: | Levy, C.W. | | Deposit date: | 2015-04-01 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
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6RNW
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6RNV
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3E5Q
 | | Unbound Oxidised CprK | | Descriptor: | Cyclic nucleotide-binding protein | | Authors: | Levy, C. | | Deposit date: | 2008-08-14 | | Release date: | 2008-09-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
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3E6C
 | | CprK OCPA DNA Complex | | Descriptor: | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, Cyclic nucleotide-binding protein, DNA (5'-D(P*DGP*DCP*DAP*DTP*DTP*DAP*DAP*DCP*DAP*DTP*DGP*DCP*DC)-3'), ... | | Authors: | Levy, C. | | Deposit date: | 2008-08-15 | | Release date: | 2008-09-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
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3E5U
 | | OCPA complexed CprK (C200S) | | Descriptor: | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, Cyclic nucleotide-binding protein, PHOSPHATE ION, ... | | Authors: | Levy, C. | | Deposit date: | 2008-08-14 | | Release date: | 2008-09-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
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