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PDB: 124 results

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
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
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
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
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
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
5LI6
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BU of 5li6 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide
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 (1.95 Å)
Cite:Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
2H6C
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BU of 2h6c by Molmil
Crystal structure of reduced CprK in absence of any ligand
Descriptor: ChloroPhenol Reduction gene K
Authors:Levy, C, Leys, D.
Deposit date:2006-05-31
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CprK Crystal Structures Reveal Mechanism for Transcriptional Control of Halorespiration.
J.Biol.Chem., 281, 2006
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
5L57
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BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
Descriptor: (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
5L58
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BU of 5l58 by Molmil
Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
Descriptor: 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
5LM2
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BU of 5lm2 by Molmil
Crystal Structure of HD-PTP phosphatase
Descriptor: Tyrosine-protein phosphatase non-receptor type 23
Authors:Levy, C.
Deposit date:2016-07-28
Release date:2016-11-30
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural Basis for Selective Interaction between the ESCRT Regulator HD-PTP and UBAP1.
Structure, 24, 2016
5LM1
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BU of 5lm1 by Molmil
Crystal Structure of HD-PTP phosphatase in complex with UBAP1
Descriptor: Tyrosine-protein phosphatase non-receptor type 23, UBAP-1
Authors:Levy, C.
Deposit date:2016-07-28
Release date:2016-11-30
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis for Selective Interaction between the ESCRT Regulator HD-PTP and UBAP1.
Structure, 24, 2016

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