227D
| A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY | 分子名称: | 2,5-BIS(4-GUANYLPHENYL)FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | 著者 | Laughton, C.A, Tanious, F, Nunn, C.M, Boykin, D.W, Wilson, W.D, Neidle, S. | 登録日 | 1995-08-08 | 公開日 | 1995-11-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity. Biochemistry, 35, 1996
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3SBF
| Crystal structure of the mutant P311A of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and D-Arabinonate | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-arabinonic acid, MAGNESIUM ION, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | 登録日 | 2011-06-04 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the mutant P311A of enolase superfamily member from Vibrionales bacterium complexed with Mg and D-Arabinonate To be Published
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2PK3
| Crystal Structure of a GDP-4-keto-6-deoxy-D-mannose reductase | 分子名称: | GDP-6-deoxy-D-lyxo-4-hexulose reductase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | 著者 | Webb, N.A, Garavito, R.M. | 登録日 | 2007-04-17 | 公開日 | 2008-03-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | The structural basis for catalytic function of GMD and RMD, two closely related enzymes from the GDP-D-rhamnose biosynthesis pathway. Febs J., 276, 2009
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1M7L
| Solution Structure of the Coiled-Coil Trimerization Domain from Lung Surfactant Protein D | 分子名称: | Pulmonary surfactant-associated protein D | 著者 | Kovacs, H, O'Donoghue, S.I, Hoppe, H.-J, Comfort, D, Reid, K.B.M, Campbell, I.D, Nilges, M. | 登録日 | 2002-07-22 | 公開日 | 2002-11-27 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the coiled-coil trimerization domain from lung surfactant protein D J.BIOMOL.NMR, 24, 2002
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1TKJ
| Streptomyces griseus aminopeptidase complexed with D-Methionine | 分子名称: | Aminopeptidase, CALCIUM ION, D-METHIONINE, ... | 著者 | Reiland, V, Gilboa, R, Spungin-Bialik, A, Schomburg, D, Shoham, Y, Blumberg, S, Shoham, G. | 登録日 | 2004-06-08 | 公開日 | 2005-06-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Interactions of D Amino Acids with Streptomyces griseus Aminopeptidase To be Published
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3NXY
| Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-14 | 公開日 | 2010-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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1D65
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2A2G
| THE CRYSTAL STRUCTURES OF A2U-GLOBULIN AND ITS COMPLEX WITH A HYALINE DROPLET INDUCER. | 分子名称: | D-LIMONENE 1,2-EPOXIDE, PROTEIN (ALPHA-2U-GLOBULIN) | 著者 | Chaudhuri, B.N, Kleywegt, G.J, Jones, T.A. | 登録日 | 1998-11-19 | 公開日 | 1999-08-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The structures of alpha 2u-globulin and its complex with a hyaline droplet inducer. Acta Crystallogr.,Sect.D, 55, 1999
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1VT7
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298D
| TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | 分子名称: | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | 著者 | Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S. | 登録日 | 1996-10-10 | 公開日 | 1996-12-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2. J.Med.Chem., 39, 1996
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4O2P
| Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine | 分子名称: | 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | 著者 | Richters, A, Rauh, D. | 登録日 | 2013-12-17 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma. J.Med.Chem., 58, 2015
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3NXT
| Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E-and Z-isomers of a Series of 5-substituted 2,4-diaminofuro[2m,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-14 | 公開日 | 2010-12-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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3NZC
| Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-carboxy(alkyloxy)pyrido[2,3-d]pyridine Derivativea | 分子名称: | 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Cody, V. | 登録日 | 2010-07-16 | 公開日 | 2010-12-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural analysis of Pneumocystis carinii and human DHFR complexes with
NADPH and a series of five potent
6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives Acta Crystallogr.,Sect.D, 67, 2011
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1D63
| CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES | 分子名称: | BERENIL, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | 著者 | Brown, D.G, Sanderson, M.R, Garman, E, Neidle, S. | 登録日 | 1992-03-02 | 公開日 | 1993-01-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a berenil-d(CGCAAATTTGCG) complex. An example of drug-DNA recognition based on sequence-dependent structural features. J.Mol.Biol., 226, 1992
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1XX1
| Structural basis for ion-coordination and the catalytic mechanism of sphingomyelinases D | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ... | 著者 | Murakami, M.T, Tambourgi, D.V, Arni, R.K. | 登録日 | 2004-11-03 | 公開日 | 2005-01-18 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for metal ion coordination and the catalytic mechanism of sphingomyelinases d J.Biol.Chem., 280, 2005
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3NXO
| Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-14 | 公開日 | 2010-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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3NXV
| Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | 分子名称: | 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cody, V. | 登録日 | 2010-07-14 | 公開日 | 2010-12-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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1TKH
| Streptomyces griseus aminopeptidase complexed with D-Phenylalanine | 分子名称: | Aminopeptidase, CALCIUM ION, D-PHENYLALANINE, ... | 著者 | Reiland, V, Gilboa, R, Spungin-Bialik, A, Schomburg, D, Shoham, Y, Blumberg, S, Shoham, G. | 登録日 | 2004-06-08 | 公開日 | 2005-06-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Interactions of D Amino Acids with Streptomyces griseus Aminopeptidase To be Published
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1DK9
| SOLUTION STRUCTURE ANALYSIS OF THE DNA DUPLEX D(CATGAGTAC)D(GTACTCATG) | 分子名称: | 5'-D(CP*AP*TP*GP*AP*GP*TP*AP*CP*)-3', 5'-D(GP*TP*AP*CP*TP*CP*AP*TP*GP*)-3' | 著者 | Klewer, D.A, Hoskins, A, Davisson, V.J, Bergstrom, D.E, LiWang, A.C. | 登録日 | 1999-12-06 | 公開日 | 1999-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of a DNA duplex containing nucleoside analog 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole and the structure of the unmodified control. Nucleic Acids Res., 28, 2000
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1MXK
| NMR Structure of HO2-Co(III)bleomycin A(2) Bound to d(GGAAGCTTCC)(2) | 分子名称: | 5'-D(*GP*GP*AP*AP*GP*CP*TP*TP*CP*C)-3', BLEOMYCIN A2, COBALT (III) ION, ... | 著者 | Zhao, C, Xia, C, Mao, Q, Forsterling, H, DeRose, E, Antholine, W.E, Subczynski, W.K, Petering, D.H. | 登録日 | 2002-10-02 | 公開日 | 2002-10-16 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of HO(2)-Co(III)bleomycin A(2) Bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): Structure-Reactivity Relationships of Co and Fe Bleomycins J.Inorg.Biochem., 91, 2002
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1DK6
| NMR structure analysis of the DNA nine base pair duplex D(CATGAGTAC) D(GTAC(NP3)CATG) | 分子名称: | 5'-D(CP*AP*TP*GP*AP*GP*TP*AP*CP*)-3', 5'-D(GP*TP*AP*CP*(NP3)P*CP*AP*TP*GP*)-3' | 著者 | Klewer, D.A, Hoskins, A, Davisson, V.J, Bergstrom, D.E, LiWang, A.C. | 登録日 | 1999-12-06 | 公開日 | 2000-01-11 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of a DNA duplex containing nucleoside analog 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole and the structure of the unmodified control. Nucleic Acids Res., 28, 2000
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1MTG
| NMR Structure of HO2-Co(III)bleomycin A(2) bound to d(GAGCTC)(2) | 分子名称: | 5'-D(*GP*AP*GP*CP*TP*C)-3', BLEOMYCIN A2, COBALT (III) ION, ... | 著者 | Zhao, C, Xia, C, Mao, Q, Forsterling, H, DeRose, E, Antholine, W.E, Subczynski, W.K, Petering, D.H. | 登録日 | 2002-09-20 | 公開日 | 2002-10-16 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of HO(2)-Co(III)bleomycin A(2) Bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): Structure-Reactivity Relationships of Co and Fe Bleomycins J.Inorg.Biochem., 91, 2002
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1MVT
| Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | 分子名称: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | 著者 | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | 登録日 | 2002-09-26 | 公開日 | 2003-04-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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2PYI
| Crystal structure of Glycogen Phosphorylase in complex with glucosyl triazoleacetamide | 分子名称: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | 著者 | Alexacou, K.M, Tiraidis, C, Zographos, S.E, Chrysina, E.D, Hayes, J, Oikonomakos, N.G. | 登録日 | 2007-05-16 | 公開日 | 2008-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystallographic and computational studies on 4-phenyl-N-(beta-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with alpha-D-glucose, N-acetyl-beta-D-glucopyranosylamine and N-benzoyl-N'-beta-D-glucopyranosyl urea binding. Proteins, 71, 2007
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1MVS
| Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | 分子名称: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | 著者 | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | 登録日 | 2002-09-26 | 公開日 | 2003-04-01 | 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 two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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