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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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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3CD2
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![BU of 3cd2 by Molmil](/molmil-images/mine/3cd2) | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S. | Deposit date: | 1999-03-16 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 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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4CD2
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![BU of 4cd2 by Molmil](/molmil-images/mine/4cd2) | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | Descriptor: | DIHYDROFOLATE REDUCTASE, FOLIC ACID | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F. | Deposit date: | 1999-03-18 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 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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5K54
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![BU of 5k54 by Molmil](/molmil-images/mine/5k54) | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state | Descriptor: | Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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5L0A
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![BU of 5l0a by Molmil](/molmil-images/mine/5l0a) | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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5K55
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![BU of 5k55 by Molmil](/molmil-images/mine/5k55) | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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5K56
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![BU of 5k56 by Molmil](/molmil-images/mine/5k56) | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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1RNZ
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![BU of 1rnz by Molmil](/molmil-images/mine/1rnz) | RIBONUCLEASE A CRYSTALLIZED FROM 2.5M SODIUM CHLORIDE, 3.3M SODIUM FORMATE | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Josph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-11-08 | Release date: | 1997-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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1RNX
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![BU of 1rnx by Molmil](/molmil-images/mine/1rnx) | RIBONUCLEASE A CRYSTALLIZED FROM 3M SODIUM CHLORIDE, 30% AMMONIUM SULFATE | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-04-23 | Release date: | 1996-11-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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1RNW
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![BU of 1rnw by Molmil](/molmil-images/mine/1rnw) | RECOMBINANT RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-11-08 | Release date: | 1997-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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1RNY
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![BU of 1rny by Molmil](/molmil-images/mine/1rny) | RIBONUCLEASE A CRYSTALLIZED FROM 3M CESIUM CHLORIDE, 30% AMMONIUM SULFATE | Descriptor: | CESIUM ION, CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-04-23 | Release date: | 1996-11-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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5KY6
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![BU of 5ky6 by Molmil](/molmil-images/mine/5ky6) | |
5ET5
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![BU of 5et5 by Molmil](/molmil-images/mine/5et5) | Human muscle fructose-1,6-bisphosphatase in active R-state | Descriptor: | Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2015-11-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure. Acta Crystallogr D Struct Biol, 72, 2016
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5ET8
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![BU of 5et8 by Molmil](/molmil-images/mine/5et8) | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2015-11-17 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | T-to-R switch of muscle FBPase involves extreme changes of secondary and quaternary structure To Be Published
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5ET6
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![BU of 5et6 by Molmil](/molmil-images/mine/5et6) | Human muscle fructose-1,6-bisphosphatase in inactive T-state in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2015-11-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure. Acta Crystallogr D Struct Biol, 72, 2016
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5ET7
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![BU of 5et7 by Molmil](/molmil-images/mine/5et7) | Human muscle fructose-1,6-bisphosphatase in inactive T-state | Descriptor: | Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2015-11-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.989 Å) | Cite: | T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure. Acta Crystallogr D Struct Biol, 72, 2016
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6H26
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![BU of 6h26 by Molmil](/molmil-images/mine/6h26) | Rabbit muscle phosphoglycerate mutase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Phosphoglycerate mutase | Authors: | Wisniewski, J, Barciszewski, J, Jaskolski, M, Rakus, D. | Deposit date: | 2018-07-13 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.288 Å) | Cite: | Rabbit muscle phosphoglycerate mutase To Be Published
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7L33
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![BU of 7l33 by Molmil](/molmil-images/mine/7l33) | X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer | Descriptor: | COPPER (II) ION, Cu-3SCC | Authors: | Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. | Deposit date: | 2020-12-17 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide Acs Catalysis, 11, 2021
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5WID
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![BU of 5wid by Molmil](/molmil-images/mine/5wid) | Structure of a flavodoxin from the domain Archaea | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Murakami, K.S, Ferry, J.G. | Deposit date: | 2017-07-19 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.681 Å) | Cite: | Structure and function of an unusual flavodoxin from the domainArchaea. Proc.Natl.Acad.Sci.USA, 116, 2019
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1KLK
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![BU of 1klk by Molmil](/molmil-images/mine/1klk) | CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F. | Deposit date: | 2001-12-12 | Release date: | 2002-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based enzyme inhibitor design: modeling studies and crystal structure analysis of Pneumocystis carinii dihydrofolate reductase ternary complex with PT653 and NADPH. Acta Crystallogr.,Sect.D, 58, 2002
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1CD2
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![BU of 1cd2 by Molmil](/molmil-images/mine/1cd2) | 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, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | Deposit date: | 1999-03-05 | Release date: | 2000-03-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 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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1E26
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![BU of 1e26 by Molmil](/molmil-images/mine/1e26) | Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F. | Deposit date: | 2000-05-17 | Release date: | 2001-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 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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1LY4
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![BU of 1ly4 by Molmil](/molmil-images/mine/1ly4) | Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A. | Deposit date: | 2002-06-06 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr.,Sect.D, 58, 2002
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1LY3
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![BU of 1ly3 by Molmil](/molmil-images/mine/1ly3) | ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE | Descriptor: | 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A. | Deposit date: | 2002-06-06 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr.,Sect.D, 58, 2002
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