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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: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein CaJ7.0360
Authors:Paulsen, J.L, Bendel, S.D, Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2023-09-13
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
3RO9
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BU of 3ro9 by Molmil
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: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Strain CBS138 chromosome J complete sequence
Authors:Paulsen, J.L, Anderson, A.C.
Deposit date:2011-04-25
Release date:2012-05-09
Last modified:2024-02-28
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
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: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Paulsen, J.L, Bendel, S.D, Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2023-09-13
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
3QFX
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Trypanosoma brucei dihydrofolate reductase pyrimethamine complex
Descriptor: 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vanichtanankul, J, Yuvaniyama, J, Taweechai, S, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y.
Deposit date:2011-01-24
Release date:2011-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trypanosomal dihydrofolate reductase reveals natural antifolate resistance
Acs Chem.Biol., 6, 2011
3QLX
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BU of 3qlx by Molmil
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: 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Paulsen, J.L, Bendel, S.D, Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2023-09-13
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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BU of 3qly by Molmil
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: 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Strain CBS138 chromosome J complete sequence
Authors:Paulsen, J.L, Bendel, S.D, Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2023-09-13
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
5U26
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BU of 5u26 by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p218 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-11-29
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p218 Inhibitor
TO BE PUBLISHED
3QL0
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BU of 3ql0 by Molmil
Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A.
Deposit date:2011-02-02
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Science, 332, 2011
3QYL
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BU of 3qyl by Molmil
Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate
Descriptor: (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, CALCIUM ION, CHLORIDE ION, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F.
Deposit date:2011-03-03
Release date:2012-01-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Evidence for dynamics in proteins as a mechanism for ligand dissociation.
Nat.Chem.Biol., 8, 2012
3S9U
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BU of 3s9u by Molmil
Bacillus anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP120J
Descriptor: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Activity Studies of Heterocyclic Propargyl-linked TMP Analogs Targeting Bacillus anthracis Dihydrofolate Reductase
To be Published
3S7A
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BU of 3s7a by Molmil
Human dihydrofolate reductase binary complex with PT684
Descriptor: 4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5H-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid, Dihydrofolate reductase, SULFATE ION
Authors:Cody, V, Pace, J, Nowak, J.
Deposit date:2011-05-26
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of human dihydrofolate reductase as a binary complex with the potent and selective inhibitor 2,4-diamino-6-{2'-O-(3-carboxypropyl)oxydibenz[b,f]-azepin-5-yl}methylpteridine reveals an unusual binding mode.
Acta Crystallogr.,Sect.D, 67, 2011
3SAI
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BU of 3sai by Molmil
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015
Descriptor: 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, DI(HYDROXYETHYL)ETHER, Dihydrofolate reductase, ...
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs targeting Bacillus dihydrofolate reductase
To be Published
7K62
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BU of 7k62 by Molmil
Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-18
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218
To Be Published
7K69
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BU of 7k69 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574
Descriptor: 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574
To Be Published
7K6A
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BU of 7k6a by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001575
Descriptor: 1,2-ETHANEDIOL, 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001575
to be published
7K68
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BU of 7k68 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001565
Descriptor: 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001565
To Be Published
7K6C
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BU of 7k6c by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC 19977 / DSM 44196 with NADP and inhibitor P218
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC 19977 / DSM 44196 with NADP and inhibitor P218
to be published
7KM9
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BU of 7km9 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001913, tetragonal crystal from
Descriptor: (2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, BROMIDE ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001913, tetragonal crystal form
to be published
7KI8
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BU of 7ki8 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580
Descriptor: 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-10-23
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580
to be published
7KI9
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BU of 7ki9 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001912
Descriptor: 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-10-23
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001912
to be published
7KM8
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BU of 7km8 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, orthorhombic crystal from
Descriptor: (2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, orthorhombic crystal form
to be published
7KM7
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BU of 7km7 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, tetragonal crystal from
Descriptor: (2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, BROMIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001914, tetragonal crystal form
to be published
7FPM
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BU of 7fpm by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 2)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-09
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:DHFR:NADP+:FOL complex at 280 K
To Be Published
7FPO
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BU of 7fpo by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 4)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-09
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:DHFR:NADP+:FOL complex at 280 K
To Be Published
7FQ2
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BU of 7fq2 by Molmil
DHFR:NADP+:FOL complex at 300 K (multi-crystal)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:DHFR:NADP+:FOL complex at 300 K
To Be Published

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