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7FQ1
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BU of 7fq1 by Molmil
DHFR:NADP+:FOL complex at 300 K (crystal 5)
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 (1.18 Å)
Cite:DHFR:NADP+:FOL complex at 300 K
To Be Published
7FQ0
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BU of 7fq0 by Molmil
DHFR:NADP+:FOL complex at 300 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:2022-09-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:DHFR:NADP+:FOL complex at 300 K
To Be Published
7FPZ
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BU of 7fpz by Molmil
DHFR:NADP+:FOL complex at 300 K (crystal 3)
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 (1.32 Å)
Cite:DHFR:NADP+:FOL complex at 300 K
To Be Published
7FPY
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BU of 7fpy by Molmil
DHFR:NADP+:FOL complex at 300 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:2022-09-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:DHFR:NADP+:FOL complex at 300 K
To Be Published
7FPX
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BU of 7fpx by Molmil
DHFR:NADP+:FOL complex at 300 K (crystal 1)
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 (1.06 Å)
Cite:DHFR:NADP+:FOL complex at 300 K
To Be Published
7FPW
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BU of 7fpw by Molmil
DHFR:NADP+:FOL complex at 290 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 (1.04 Å)
Cite:DHFR:NADP+:FOL complex at 290 K
To Be Published
7FPV
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BU of 7fpv by Molmil
DHFR:NADP+:FOL complex at 290 K (crystal 5)
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 (1.04 Å)
Cite:DHFR:NADP+:FOL complex at 290 K
To Be Published
7FPU
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BU of 7fpu by Molmil
DHFR:NADP+:FOL complex at 290 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:2022-09-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:DHFR:NADP+:FOL complex at 290 K
To Be Published
7FPT
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BU of 7fpt by Molmil
DHFR:NADP+:FOL complex at 290 K (crystal 3)
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 290 K
To Be Published
7FPS
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BU of 7fps by Molmil
DHFR:NADP+:FOL complex at 290 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:2022-09-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:DHFR:NADP+:FOL complex at 290 K
To Be Published
7FPR
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BU of 7fpr by Molmil
DHFR:NADP+:FOL complex at 290 K (crystal 1)
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 290 K
To Be Published
7FPQ
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BU of 7fpq by Molmil
DHFR:NADP+:FOL complex at 280 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:2022-09-09
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:DHFR:NADP+:FOL complex at 280 K
To Be Published
7FPP
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BU of 7fpp by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 5)
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 (1.03 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
7FPN
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BU of 7fpn by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 3)
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
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
7FPL
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BU of 7fpl by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 1)
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 (1.17 Å)
Cite:DHFR:NADP+:FOL complex at 280 K
To Be Published
7FGY
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BU of 7fgy by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7FGX
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BU of 7fgx by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7FGW
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BU of 7fgw by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7F3Z
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BU of 7f3z by Molmil
Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Tanramluk, D, Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2021-06-17
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
7F3Y
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BU of 7f3y by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Tanramluk, D, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2021-06-17
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
Descriptor: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
Authors:Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
Deposit date:2021-06-16
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
7ESE
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BU of 7ese by Molmil
The Crystal Structure of human DHFR from Biortus
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, F, Cheng, W, Xu, C, Qi, J, Bao, X, Miao, Q.
Deposit date:2021-05-10
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of human DHFR from Biortus
To Be Published
7DFR
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BU of 7dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bystroff, C, Oatley, S.J, Kraut, J.
Deposit date:1988-10-21
Release date:1990-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state.
Biochemistry, 29, 1990

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