3QLW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qlw by Molmil](/molmil-images/mine/3qlw) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ro9 by Molmil](/molmil-images/mine/3ro9) | |
3QLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qlz by Molmil](/molmil-images/mine/3qlz) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qfx by Molmil](/molmil-images/mine/3qfx) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qlx by Molmil](/molmil-images/mine/3qlx) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qly by Molmil](/molmil-images/mine/3qly) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u26 by Molmil](/molmil-images/mine/5u26) | |
3QL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ql0 by Molmil](/molmil-images/mine/3ql0) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qyl by Molmil](/molmil-images/mine/3qyl) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s9u by Molmil](/molmil-images/mine/3s9u) | |
3S7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s7a by Molmil](/molmil-images/mine/3s7a) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sai by Molmil](/molmil-images/mine/3sai) | |
7K62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k62 by Molmil](/molmil-images/mine/7k62) | |
7K69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k69 by Molmil](/molmil-images/mine/7k69) | |
7K6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k6a by Molmil](/molmil-images/mine/7k6a) | |
7K68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k68 by Molmil](/molmil-images/mine/7k68) | |
7K6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k6c by Molmil](/molmil-images/mine/7k6c) | |
7KM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7km9 by Molmil](/molmil-images/mine/7km9) | |
7KI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ki8 by Molmil](/molmil-images/mine/7ki8) | |
7KI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ki9 by Molmil](/molmil-images/mine/7ki9) | |
7KM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7km8 by Molmil](/molmil-images/mine/7km8) | |
7KM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7km7 by Molmil](/molmil-images/mine/7km7) | |
7FPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fpm by Molmil](/molmil-images/mine/7fpm) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fpo by Molmil](/molmil-images/mine/7fpo) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fq2 by Molmil](/molmil-images/mine/7fq2) | 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
|
|