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3QLR
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-METHYL-5-[(3R)-3-(3,4,5-TRIMETHOXYPHENYL)PENT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP112A)
Descriptor:Putative uncharacterized protein CaJ7.0360, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Bendel, S.D., Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3QLS
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-METHYL-5-[3-METHYL-3-(3,4,5-TRIMETHOXYPHENYL)BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP115A)
Descriptor:Putative uncharacterized protein CaJ7.0360, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Bendel, S.D., Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3QLW
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-[3-(2,5-DIMETHOXYPHENYL)PROP-1-YN-1-YL]-6-ETHYLPYRIMIDINE-2,4-DIAMINE (UCP120B)
Descriptor:Putative uncharacterized protein CaJ7.0360, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
Authors:Paulsen, J.L., Bendel, S.D., Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3QLX
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CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-METHYL-5-[(3R)-3-(3,4,5-TRIMETHOXYPHENYL)PENT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP112A)
Descriptor:Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine
Authors:Paulsen, J.L., Bendel, S.D., Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.239 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3QLY
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CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-METHYL-5-[3-METHYL-3-(3,4,5-TRIMETHOXYPHENYL)BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP115A)
Descriptor:Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
Authors:Paulsen, J.L., Bendel, S.D., Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.519 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3QLZ
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CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-[3-(2,5-DIMETHOXYPHENYL)PROP-1-YN-1-YL]-6-PROPYLPYRIMIDINE-2,4-DIAMINE (UCP130B)
Descriptor:Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Bendel, S.D., Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3RO9
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CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-ETHYL-5-[(3R)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006)
Descriptor:Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2011-04-25
Release date:2012-05-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
3ROA
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CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-ETHYL-5-[(3R)-3-[3-METHOXY-5-(MORPHOLIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1004)
Descriptor:Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2011-04-25
Release date:2012-05-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
4H95
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-ETHYL-5-{3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL}PYRIMIDINE-2,4-DIAMINE (UCP1006)
Descriptor:Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2012-09-24
Release date:2013-03-27
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
4H96
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-{3-[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-METHOXYPHENYL]PROP-1-YN-1-YL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE (UCP1018)
Descriptor:Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2012-09-24
Release date:2013-03-27
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
4H97
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-{3-[3-METHOXY-5-(4-METHYLPHENYL)PHENYL]BUT-1-YN-1-YL}-6-METHYLPYRIMIDINE-2,4-DIAMINE (UCP111D4M)
Descriptor:Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2012-09-24
Release date:2013-03-27
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
4H98
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CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-{3-[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-METHOXYPHENYL]PROP-1-YN-1-YL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE (UCP1018)
Descriptor:Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2012-09-24
Release date:2013-03-27
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
4HOE
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-[3-(2,5-DIMETHOXY-4-PHENYLPHENYL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE (UCP111E)
Descriptor:Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2012-10-22
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata.
J.Med.Chem., 57, 2014
4HOF
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-[3-(2-METHOXY-4-PHENYLPHENYL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE (UCP111H)
Descriptor:Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2012-10-22
Release date:2014-03-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata.
J.Med.Chem., 57, 2014
4HOG
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CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 5-[3-(2-METHOXY-4-PHENYLPHENYL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE (UCP111H)
Descriptor:Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, ...
Authors:Paulsen, J.L., Anderson, A.C.
Deposit date:2012-10-22
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata.
J.Med.Chem., 57, 2014
4U6Q
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CTBP1 BOUND TO INHIBITOR 2-(HYDROXYIMINO)-3-PHENYLPROPANOIC ACID
Descriptor:C-terminal-binding protein 1, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, ...
Authors:Hilbert, B.J., Morris, B.L., Ellis, K.C., Paulsen, J.L., Schiffer, C.A., Grossman, S.R., Royer Jr., W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4U6S
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CTBP1 IN COMPLEX WITH SUBSTRATE PHENYLPYRUVATE
Descriptor:C-terminal-binding protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 3-PHENYLPYRUVIC ACID, ...
Authors:Hilbert, B.J., Morris, B.L., Ellis, K.C., Paulsen, J.L., Schiffer, C.A., Grossman, S.R., Royer Jr., W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015