PDB: 618 resultsInfo pagesStatus searchChemie searchBIRD

---

8TBR	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM758 Descriptor: 3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2023-06-29 Release date: 2024-08-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM758 To be published
8TA1	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907 Descriptor: 3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, ACETATE ION, Dihydrofolate reductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2023-06-26 Release date: 2024-08-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907 To be published
8TA0	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881 Descriptor: 3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2023-06-26 Release date: 2024-08-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881 To be published
8VZ4	L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form) Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Fried, S.D.E, Boxer, S.G. Deposit date: 2024-02-09 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase To Be Published
8COX	Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(2-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 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 (2.1 Å) Cite: Currently unpublished To Be Published
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
8CQA	Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)acetamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... 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 (2 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
8CQ8	Mycobacterium tuberculosis dihydrofolate reductase in complex with methyl 4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)benzoate Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... 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 (1.8 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
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
8COP	Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Kirkman, T.J, Dias, M.V.B. Deposit date: 2023-02-28 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Expansion of a series of pyrimidine derivatives utilising fragment-based merging showcasing anleads to increased affinity with to Mycobacterium tuberculosis dihydrofolate reductase To Be Published
8COQ	Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine Descriptor: 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Kirkman, T.J, Dias, M.V.B. Deposit date: 2023-02-28 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Currently unpublished To Be Published
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
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
8F82	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, BROMIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-11-21 Release date: 2023-12-13 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845 To be published
8F83	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846 Descriptor: 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, IMIDAZOLE, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-11-21 Release date: 2023-12-13 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846 To be published
8F85	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851 Descriptor: 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-11-21 Release date: 2023-12-13 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851 To be published
8F84	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787 Descriptor: 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-11-21 Release date: 2023-12-13 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787 To be published
8F80	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738 Descriptor: 1,2-ETHANEDIOL, 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-11-21 Release date: 2023-12-13 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738 To be published
8F81	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777 Descriptor: 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-11-21 Release date: 2023-12-13 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777 To be published
8UVZ	Bacillus subtilis DHFR bound to NADP+ and folate Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Smith, N, Horswill, A.R, Wilson, M.A. Deposit date: 2023-11-05 Release date: 2023-11-15 Method: X-RAY DIFFRACTION (0.93 Å) Cite: Bacillus subtilis DHFR bound to NADP+ and folate To Be Published
8UW0	Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... Authors: Smith, N, Horswill, A.R, Wilson, M.A. Deposit date: 2023-11-05 Release date: 2023-11-15 Method: X-RAY DIFFRACTION (0.93 Å) Cite: X-ray-driven chemistry and conformational heterogeneity in atomic resolution crystal structures of bacterial dihydrofolate reductases To Be Published
8UCX	Dihydrofolate Reductase Complexed with Folate Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION Authors: Fried, S.D.E, Boxer, S.G. Deposit date: 2023-09-27 Release date: 2023-10-11 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase To Be Published
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
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
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

 

12345678910111213141516>