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3U99
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BU of 3u99 by Molmil
The experimental X-ray structure of the new diheme cytochrome type c from Shewanella baltica OS155 sb-DHC
Descriptor: Diheme cytochrome c, HEME C
Authors:De March, M, Di Rocco, G, Geremia, S.
Deposit date:2011-10-18
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.146 Å)
Cite:High-resolution crystal structure of the recombinant diheme cytochrome c from Shewanella baltica (OS155).
J.Biomol.Struct.Dyn., 33, 2015
5HY5
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BU of 5hy5 by Molmil
Crystal Structure of a Tryptophan 6-halogenase (SttH) from Streptomyces toxytricini
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
Authors:Levy, C.
Deposit date:2016-02-01
Release date:2016-02-17
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A Structure-Guided Switch in the Regioselectivity of a Tryptophan Halogenase.
Chembiochem, 17, 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:2016-04-27
Method:X-RAY DIFFRACTION (2.0201 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
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:2019-10-16
Method:X-RAY DIFFRACTION (2.1 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:2019-10-16
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:2016-04-27
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:2016-04-27
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:2019-10-16
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:2016-04-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
8C73
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BU of 8c73 by Molmil
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
8C76
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BU of 8c76 by Molmil
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
3E6D
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BU of 3e6d by Molmil
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
3TE7
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BU of 3te7 by Molmil
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
5EDT
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BU of 5edt by Molmil
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
5FHQ
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BU of 5fhq by Molmil
Crystal structure of (WT) Rat Catechol-O-Methyltransferase in complex with AdoMet and 3,5-dinitrocatechol (DNC)
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Effects of Active-Site Modification and Quaternary Structure on the Regioselectivity of Catechol-O-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 55, 2016
5FHR
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BU of 5fhr by Molmil
Crystal structure of Y200L mutant of Rat Catechol-O-Methyltransferase in complex with AdoMet and 3,5-dinitrocatechol
Descriptor: 3,5-DINITROCATECHOL, BROMIDE ION, Catechol O-methyltransferase, ...
Authors:Levy, C.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Effects of Active-Site Modification and Quaternary Structure on the Regioselectivity of Catechol-O-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 55, 2016
3E5Q
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BU of 3e5q by Molmil
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
3E6C
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BU of 3e6c by Molmil
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
3E5U
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BU of 3e5u by Molmil
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
3E6B
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BU of 3e6b by Molmil
OCPA complexed CprK (C200S)
Descriptor: (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, 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 (2.01 Å)
Cite:Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
3E5X
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BU of 3e5x by Molmil
OCPA complexed CprK
Descriptor: (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, Cyclic nucleotide-binding protein
Authors:Levy, C.
Deposit date:2008-08-14
Release date:2008-12-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator
Mol.Microbiol., 70, 2008
5LOC
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BU of 5loc by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH)
Descriptor: Meso-diaminopimelate D-dehydrogenase
Authors:Dunstan, M.S, Gahloth, D.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
5LOA
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BU of 5loa by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH) bound to NADP+
Descriptor: Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dunstan, M.S, Gahloth, D.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
6HX9
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BU of 6hx9 by Molmil
Putrescine transaminase from Pseudomonas putida
Descriptor: Aspartate aminotransferase family protein
Authors:Gahloth, D.
Deposit date:2018-10-16
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Characterization of a Putrescine Transaminase FromPseudomonas putidaand its Application to the Synthesis of Benzylamine Derivatives.
Front Bioeng Biotechnol, 6, 2018
8A9P
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BU of 8a9p by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
Descriptor: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-06-29
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published

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