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BU of 2vz0 by Molmil

Pteridine Reductase 1 (PTR1) from Trypanosoma Brucei in complex with NADP and DDD00066641
分子名称:	6-(4-methylphenyl)quinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE
著者	Robinson, D.A, Thompson, S, Sienkiewicz, N, Fairlamb, A.H.
登録日	2008-07-29
公開日	2009-09-22
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Development and Validation of a Cytochrome C Coupled Assay for Pteridine Reductase 1 and Dihydrofolate Reductase. Anal.Biochem., 396, 2010

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BU of 3gn2 by Molmil

Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00066730)
分子名称:	1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者	Tulloch, L.B, Brenk, R, Hunter, W.N.
登録日	2009-03-16
公開日	2009-12-29
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52, 2009

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BU of 3gn1 by Molmil

Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116)
分子名称:	1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者	Tulloch, L.B, Brenk, R, Hunter, W.N.
登録日	2009-03-16
公開日	2009-12-29
最終更新日	2011-09-07
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52, 2009

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BU of 2woi by Molmil

Trypanothione reductase from Trypanosoma brucei
分子名称:	CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
著者	Alphey, M.S, Fairlamb, A.H.
登録日	2009-07-24
公開日	2010-08-04
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 2wp6 by Molmil

Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494)
分子名称:	(4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者	Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日	2009-08-03
公開日	2010-10-13
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 2wpf by Molmil

Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762)
分子名称:	3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE, BROMIDE ION, CHLORIDE ION, ...
著者	Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日	2009-08-06
公開日	2010-10-13
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 2xtk by Molmil

ChiA1 from Aspergillus fumigatus in complex with acetazolamide
分子名称:	5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CLASS III CHITINASE CHIA1, PHOSPHATE ION
著者	Schuettelkopf, A.W, van Aalten, D.M.F.
登録日	2010-10-11
公開日	2011-10-26
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Acetazolamide-Based Fungal Chitinase Inhibitors. Bioorg.Med.Chem., 18, 2010

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BU of 2wpc by Molmil

Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)
分子名称:	(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者	Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日	2009-08-05
公開日	2010-10-13
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 2wov by Molmil

Trypanosoma brucei trypanothione reductase with bound NADP.
分子名称:	FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者	Alphey, M.S, Fairlamb, A.H.
登録日	2009-07-30
公開日	2010-08-04
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 2wpe by Molmil

Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359)
分子名称:	(4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者	Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日	2009-08-06
公開日	2010-10-13
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 2wow by Molmil

Trypanosoma brucei trypanothione reductase with NADP and trypanothione bound
分子名称:	BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者	Alphey, M.S, Fairlamb, A.H.
登録日	2009-07-30
公開日	2010-08-04
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 2wp5 by Molmil

Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00065414)
分子名称:	(4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者	Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日	2009-08-03
公開日	2010-10-13
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011

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BU of 4bqh by Molmil

Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor
分子名称:	(3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE
著者	Fang, W, Raimi, O.G, vanAalten, D.M.F.
登録日	2013-05-30
公開日	2013-07-17
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei. Acs Chem.Biol., 8, 2013

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BU of 5t6c by Molmil

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-methylpyridinyl-methoxy-phenyl-pyridine piperazine ligand
分子名称:	1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
著者	Robinson, D.A, Wyatt, P.G.
登録日	2016-09-01
公開日	2017-09-13
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem., 60, 2017

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BU of 5t6h by Molmil

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dimethylpyridyl-dipihenyl-pyridine ligand
分子名称:	1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
著者	Robinson, D.A, Wyatt, P.G.
登録日	2016-09-01
公開日	2017-09-13
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem., 60, 2017

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BU of 5t6e by Molmil

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand
分子名称:	1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
著者	Robinson, D.A, Wyatt, P.G.
登録日	2016-09-01
公開日	2017-09-13
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem., 60, 2017

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BU of 5t5u by Molmil

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a methylpyridyl-dipihenyl-pyridine ligand
分子名称:	2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
著者	Robinson, D.A, Wyatt, P.G.
登録日	2016-08-31
公開日	2017-09-13
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem., 60, 2017

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