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1VJ3
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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.
分子名称: 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
著者Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G.
登録日2004-01-13
公開日2004-01-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
2CD2
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LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S.
登録日1999-03-15
公開日2000-03-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
3CD2
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LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
分子名称: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S.
登録日1999-03-16
公開日2000-03-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
4CD2
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LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID
著者Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F.
登録日1999-03-18
公開日2000-03-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
5K55
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BU of 5k55 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2016-05-23
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Structural studies of human muscle FBPase
To Be Published
5K54
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Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state
分子名称: Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2016-05-23
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献Structural studies of human muscle FBPase
To Be Published
5L0A
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Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2016-07-27
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural studies of human muscle FBPase
To Be Published
5K56
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Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2016-05-23
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structural studies of human muscle FBPase
To Be Published
1RNZ
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RIBONUCLEASE A CRYSTALLIZED FROM 2.5M SODIUM CHLORIDE, 3.3M SODIUM FORMATE
分子名称: CHLORIDE ION, RIBONUCLEASE A
著者Fedorov, A.A, Josph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C.
登録日1996-11-08
公開日1997-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
1RNX
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RIBONUCLEASE A CRYSTALLIZED FROM 3M SODIUM CHLORIDE, 30% AMMONIUM SULFATE
分子名称: CHLORIDE ION, RIBONUCLEASE A
著者Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C.
登録日1996-04-23
公開日1996-11-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
1RNW
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BU of 1rnw by Molmil
RECOMBINANT RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE
分子名称: RIBONUCLEASE A, SULFATE ION
著者Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C.
登録日1996-11-08
公開日1997-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
1RNY
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RIBONUCLEASE A CRYSTALLIZED FROM 3M CESIUM CHLORIDE, 30% AMMONIUM SULFATE
分子名称: CESIUM ION, CHLORIDE ION, RIBONUCLEASE A
著者Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C.
登録日1996-04-23
公開日1996-11-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
5KY6
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BU of 5ky6 by Molmil
Human muscle fructose-1,6-bisphosphate aldolase
分子名称: Fructose-bisphosphate aldolase A
著者Wisniewski, J, Barciszewski, J, Jaskolski, M, Rakus, D.
登録日2016-07-21
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Crystal structure of human muscle aldolase
To Be Published
6H26
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BU of 6h26 by Molmil
Rabbit muscle phosphoglycerate mutase
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Phosphoglycerate mutase
著者Wisniewski, J, Barciszewski, J, Jaskolski, M, Rakus, D.
登録日2018-07-13
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.288 Å)
主引用文献Rabbit muscle phosphoglycerate mutase
To Be Published
5ET5
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BU of 5et5 by Molmil
Human muscle fructose-1,6-bisphosphatase in active R-state
分子名称: Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2015-11-17
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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
5ET8
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Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2015-11-17
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献T-to-R switch of muscle FBPase involves extreme changes of secondary and quaternary structure
To Be Published
5ET6
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Human muscle fructose-1,6-bisphosphatase in inactive T-state in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2015-11-17
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献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
5ET7
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BU of 5et7 by Molmil
Human muscle fructose-1,6-bisphosphatase in inactive T-state
分子名称: Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2015-11-17
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献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
7L33
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BU of 7l33 by Molmil
X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer
分子名称: COPPER (II) ION, Cu-3SCC
著者Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D.
登録日2020-12-17
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
5WID
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BU of 5wid by Molmil
Structure of a flavodoxin from the domain Archaea
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ...
著者Murakami, K.S, Ferry, J.G.
登録日2017-07-19
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Structure and function of an unusual flavodoxin from the domainArchaea.
Proc.Natl.Acad.Sci.USA, 116, 2019
1KLK
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CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F.
登録日2001-12-12
公開日2002-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
1CD2
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LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
登録日1999-03-05
公開日2000-03-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
1E26
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Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent.
分子名称: 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
著者Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F.
登録日2000-05-17
公開日2001-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+
Biochemistry, 38, 1999
1LY4
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Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase
分子名称: 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
登録日2002-06-06
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
1LY3
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ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE
分子名称: 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
登録日2002-06-06
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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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