2CIG
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![BU of 2cig by Molmil](/molmil-images/mine/2cig) | Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid. | Descriptor: | (4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | Argyrou, A, Vetting, M.W, Aladegbami, B, Blanchard, J.S. | Deposit date: | 2006-03-20 | Release date: | 2006-04-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium Tuberculosis Dihydrofolate Reductase is a Target for Isoniazid Nat.Struct.Mol.Biol., 13, 2006
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2CD2
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![BU of 2cd2 by Molmil](/molmil-images/mine/2cd2) | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | Descriptor: | DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S. | Deposit date: | 1999-03-15 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+. Biochemistry, 38, 1999
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2C2T
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![BU of 2c2t by Molmil](/molmil-images/mine/2c2t) | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate | Descriptor: | (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W. | Deposit date: | 2005-09-30 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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2C2S
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![BU of 2c2s by Molmil](/molmil-images/mine/2c2s) | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate | Descriptor: | 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W. | Deposit date: | 2005-09-29 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation. J.Med.Chem., 50, 2007
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2BLC
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![BU of 2blc by Molmil](/molmil-images/mine/2blc) | SP21 double mutant P. vivax Dihydrofolate reductase in complex with des-chloropyrimethamine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, ... | Authors: | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | Deposit date: | 2005-03-03 | Release date: | 2005-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance. Proc.Natl.Acad.Sci.USA, 102, 2005
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2BLB
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![BU of 2blb by Molmil](/molmil-images/mine/2blb) | X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, ... | Authors: | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | Deposit date: | 2005-03-03 | Release date: | 2005-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance. Proc.Natl.Acad.Sci.USA, 102, 2005
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2BLA
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![BU of 2bla by Molmil](/molmil-images/mine/2bla) | SP21 double mutant P. vivax Dihydrofolate reductase in complex with pyrimethamine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, ... | Authors: | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | Deposit date: | 2005-03-02 | Release date: | 2005-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance. Proc.Natl.Acad.Sci.USA, 102, 2005
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2BL9
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![BU of 2bl9 by Molmil](/molmil-images/mine/2bl9) | X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative | Descriptor: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | Deposit date: | 2005-03-02 | Release date: | 2005-09-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance. Proc.Natl.Acad.Sci.USA, 102, 2005
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2ANQ
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![BU of 2anq by Molmil](/molmil-images/mine/2anq) | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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2ANO
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![BU of 2ano by Molmil](/molmil-images/mine/2ano) | Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17 | Descriptor: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE, Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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1ZDR
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![BU of 1zdr by Molmil](/molmil-images/mine/1zdr) | DHFR from Bacillus Stearothermophilus | Descriptor: | GLYCEROL, SULFATE ION, dihydrofolate reductase | Authors: | Kim, H.S, Damo, S.M, Lee, S.Y, Wemmer, D, Klinman, J.P. | Deposit date: | 2005-04-14 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and hydride transfer mechanism of a moderate thermophilic dihydrofolate reductase from Bacillus stearothermophilus and comparison to its mesophilic and hyperthermophilic homologues. Biochemistry, 44, 2005
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1YHO
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![BU of 1yho by Molmil](/molmil-images/mine/1yho) | Solution structure of human dihydrofolate reductase complexed with trimethoprim and nadph, 25 structures | Descriptor: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Polshakov, V.I, Birdsall, B. | Deposit date: | 2005-01-10 | Release date: | 2005-11-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human dihydrofolate reductase in its complex with trimethoprim and NADPH. J.Biomol.Nmr, 33, 2005
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1VJ3
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![BU of 1vj3 by Molmil](/molmil-images/mine/1vj3) | STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE. | Descriptor: | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G. | Deposit date: | 2004-01-13 | Release date: | 2004-01-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate. Biochemistry, 39, 2000
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1VDR
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![BU of 1vdr by Molmil](/molmil-images/mine/1vdr) | DIHYDROFOLATE REDUCTASE | Descriptor: | DIHYDROFOLATE REDUCTASE, PHOSPHATE ION | Authors: | Pieper, U, Herzberg, O. | Deposit date: | 1997-11-30 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural features of halophilicity derived from the crystal structure of dihydrofolate reductase from the Dead Sea halophilic archaeon, Haloferax volcanii. Structure, 6, 1998
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1U72
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![BU of 1u72 by Molmil](/molmil-images/mine/1u72) | |
1U71
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![BU of 1u71 by Molmil](/molmil-images/mine/1u71) | Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH | Descriptor: | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W. | Deposit date: | 2004-08-02 | Release date: | 2005-02-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH. Acta Crystallogr.,Sect.D, 61, 2005
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1U70
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![BU of 1u70 by Molmil](/molmil-images/mine/1u70) | |
1TDR
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![BU of 1tdr by Molmil](/molmil-images/mine/1tdr) | EXPRESSION, CHARACTERIZATION, AND CRYSTALLOGRAPHIC ANALYSIS OF TELLUROMETHIONYL DIHYDROFOLATE REDUCTASE | Descriptor: | CALCIUM ION, CHLORIDE ION, METHOTREXATE, ... | Authors: | Lewinski, K, Lebioda, L. | Deposit date: | 1995-04-13 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Expression, characterization and crystallographic analysis of telluromethionyl dihydrofolate reductase. Acta Crystallogr.,Sect.D, 51, 1995
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1SEJ
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![BU of 1sej by Molmil](/molmil-images/mine/1sej) | Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, ... | Authors: | Anderson, A.C. | Deposit date: | 2004-02-17 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance. Acta Crystallogr.,Sect.F, 61, 2005
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1S3Y
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![BU of 1s3y by Molmil](/molmil-images/mine/1s3y) | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1S3W
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![BU of 1s3w by Molmil](/molmil-images/mine/1s3w) | Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1S3V
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![BU of 1s3v by Molmil](/molmil-images/mine/1s3v) | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1S3U
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![BU of 1s3u by Molmil](/molmil-images/mine/1s3u) | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1RX9
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![BU of 1rx9 by Molmil](/molmil-images/mine/1rx9) | |
1RX8
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![BU of 1rx8 by Molmil](/molmil-images/mine/1rx8) | |