8TBR
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8TA1
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8TA0
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8VZ4
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8COX
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8COW
| Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine | Descriptor: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | Deposit date: | 2023-03-01 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Currently unpublished To Be Published
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8CQA
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8CQ8
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8CQ9
| Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... | Authors: | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | Deposit date: | 2023-03-04 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
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8COP
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8COQ
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8G4Z
| E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | Deposit date: | 2023-02-10 | Release date: | 2024-01-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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8G50
| E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | Deposit date: | 2023-02-10 | Release date: | 2024-01-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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8F82
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8F83
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8F85
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8F84
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8F80
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8F81
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8UVZ
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8UW0
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8UCX
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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 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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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 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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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 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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