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4BY0
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BU of 4by0 by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide
Descriptor: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Choi, J.Y, Calvet, C.M, Vierira, D.F, Gunatilleke, S.S, Cameron, M.D, McKerrow, J.H, Podust, L.M, Roush, W.R.
Deposit date:2013-07-16
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi
Acs Med.Chem.Lett., 5, 2014
2Y3S
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BU of 2y3s by Molmil
Structure of the tirandamycine-bound FAD-dependent tirandamycin oxidase TamL in C2 space group
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H.
Deposit date:2010-12-23
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes
Nat.Chem, 3, 2011
2Y3R
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BU of 2y3r by Molmil
Structure of the tirandamycin-bound FAD-dependent tirandamycin oxidase TamL in P21 space group
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H.
Deposit date:2010-12-22
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes
Nat.Chem, 3, 2011
2Y08
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BU of 2y08 by Molmil
Structure of the substrate-free FAD-dependent tirandamycin oxidase TamL
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H.
Deposit date:2010-11-30
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes
Nat.Chem, 3, 2011
2Y4G
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BU of 2y4g by Molmil
Structure of the Tirandamycin-bound FAD-dependent tirandamycin oxidase TamL in P212121 space group
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Carlson, J.C, Li, S, Gunatilleke, S.S, Anzai, Y, Burr, D.A, Podust, L.M, Sherman, D.H.
Deposit date:2011-01-05
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Tirandamycin Biosynthesis is Mediated by Co-Dependent Oxidative Enzymes
Nat.Chem, 3, 2011
4BJK
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BU of 4bjk by Molmil
CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
Descriptor: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2013-04-18
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.
J.Med.Chem., 56, 2013
4BMM
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BU of 4bmm by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide
Descriptor: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M.
Deposit date:2013-05-09
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014

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