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4M6J	Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. Deposit date: 2013-08-09 Release date: 2013-09-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.201 Å) Cite: Divergent evolution of protein conformational dynamics in dihydrofolate reductase. Nat.Struct.Mol.Biol., 20, 2013
4M6K	Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and folate Descriptor: Dihydrofolate reductase, FOLIC ACID, GLYCEROL, ... Authors: Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. Deposit date: 2013-08-09 Release date: 2013-09-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.396 Å) Cite: Divergent evolution of protein conformational dynamics in dihydrofolate reductase. Nat.Struct.Mol.Biol., 20, 2013
6VSE	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(phenoxymethyl)benzoic acid(fragment 14) Descriptor: 3-(phenoxymethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-11 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.758 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VV8	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 Descriptor: 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. Deposit date: 2020-02-17 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.683 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VS5	Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. Deposit date: 2020-02-10 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.758 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VVB	Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ... Authors: Tyrakis, P, Dias, M.V.B. Deposit date: 2020-02-17 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VV9	Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 Descriptor: 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. Deposit date: 2020-02-17 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
7KM9	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	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
7KM8	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
7KI9	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
7KM7	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
6VSD	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-((thiophen-2-ylthio)methyl)benzoic acid (fragment 13) Descriptor: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-11 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.693 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VSG	Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) Descriptor: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-11 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.304 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VS8	Mycobacterium tuberculosis dihydrofolate reductase in complex with ethyl 2-methyl thiazole-4-carboxylate(fragment 3) Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-10 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.829 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
6VSF	Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) Descriptor: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-11 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.012 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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
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
8DFR	REFINED CRYSTAL STRUCTURES OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE. 3 ANGSTROMS APO-ENZYME AND 1.7 ANGSTROMS NADPH HOLO-ENZYME COMPLEX Descriptor: CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Matthews, D.A, Oatley, S.J, Burridge, J, Kaufman, B.T, Xuong, N.-H, Kraut, J. Deposit date: 1989-05-30 Release date: 1989-10-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Refined Crystal Structures of Chicken Liver Dihydrofolate Reductase. 3 Angstroms Apo-Enzyme and 1.7 Angstroms Nadph Holo-Enzyme Complex To be Published
7LVC	E. coli DHFR by Native Mn,P,S-SAD at Room Temperature Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... Authors: Greisman, J.B, Dalton, K.M, Hekstra, D.R. Deposit date: 2021-02-24 Release date: 2021-03-17 Last modified: 2022-08-17 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Native SAD phasing at room temperature. Acta Crystallogr D Struct Biol, 78, 2022

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