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4BBP
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BU of 4bbp by Molmil
X-ray structure of zinc bound ZnuA in complex with RDS51
Descriptor: 1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide, SULFATE ION, ZINC ABC TRANSPORTER, ...
Authors:Alaleona, F, Ilari, A, Di Santo, R, Battistoni, A, Chiancone, E.
Deposit date:2012-09-27
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Salmonella Enterica Serovar Typhimurium Growth is Inhibited by the Concomitant Binding of Zn(II) and a Pyrrolyl-Hydroxamate to Znua, the Soluble Component of the Znuabc Transporter.
Biochim.Biophys.Acta, 1860, 2016
7RKT
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BU of 7rkt by Molmil
Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
Descriptor: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKW
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BU of 7rkw by Molmil
Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate
Descriptor: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKR
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BU of 7rkr by Molmil
Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
Descriptor: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
5EBK
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BU of 5ebk by Molmil
Trypanothione reductase in complex with 6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4-amine
Descriptor: 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Ilari, A, Angiulli, G.
Deposit date:2015-10-19
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives.
J Enzyme Inhib Med Chem, 32, 2017
4IQT
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BU of 4iqt by Molmil
Tdt core in complex with inhibitor 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
Descriptor: 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase
Authors:Gouge, J, Delarue, M.
Deposit date:2013-01-13
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
4IQU
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BU of 4iqu by Molmil
Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
Descriptor: (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, SODIUM ION
Authors:Gouge, J, Delarue, M.
Deposit date:2013-01-13
Release date:2013-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
4IQV
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BU of 4iqv by Molmil
Tdt core in complex with inhibitor 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA
Descriptor: 5'-D(*GP*CP*CP*G)-3', 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2013-01-13
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
4IQW
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BU of 4iqw by Molmil
Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA
Descriptor: (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, 5'-D(*GP*CP*CP*G)-3', DNA nucleotidylexotransferase, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2013-01-13
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
4CK9
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BU of 4ck9 by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT)
Descriptor: (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4CKA
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BU of 4cka by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFS)
Descriptor: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4CK8
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BU of 4ck8 by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD)
Descriptor: (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
Deposit date:2013-12-30
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014

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