PDB: 225399 件ウェブページステータス検索Chemie searchBIRD

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4JPG	2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as Novel PKM2 Activators 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one, Pyruvate kinase isozymes M1/M2 著者 Greasley, S.E, Hickey, M, Phonephaly, H, Cronin, C. 登録日 2013-03-19 公開日 2013-05-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators. Bioorg.Med.Chem.Lett., 23, 2013
1KIF	D-AMINO ACID OXIDASE FROM PIG KIDNEY 分子名称: BENZOIC ACID, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE 著者 Todone, F, Mattevi, A. 登録日 1996-01-19 公開日 1996-07-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of D-amino acid oxidase: a case of active site mirror-image convergent evolution with flavocytochrome b2. Proc.Natl.Acad.Sci.USA, 93, 1996
3BEA	cFMS tyrosine kinase (tie2 KID) in complex with a pyrimidinopyridone inhibitor 分子名称: 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, SULFATE ION 著者 Schubert, C. 登録日 2007-11-16 公開日 2008-07-15 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Design and synthesis of a pyrido[2,3-d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
4JMX	Structure of LD transpeptidase LdtMt1 in complex with imipenem 分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Probable L,D-transpeptidase LdtA 著者 Correale, S, Ruggiero, A, Capparelli, R, Pedone, E, Berisio, R. 登録日 2013-03-14 公開日 2013-10-23 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structures of free and inhibited forms of the L,D-transpeptidase LdtMt1 from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 69, 2013
1FMS	Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG) 分子名称: 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION 著者 Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. 登録日 2000-08-18 公開日 2000-09-11 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans Bioorg.Med.Chem.Lett., 10, 2000
1TR7	FimH adhesin receptor binding domain from uropathogenic E. coli 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, FimH protein, ... 著者 Bouckaert, J, Berglund, J, Schembri, M, De Genst, E, Cools, L, Wuhrer, M, Hung, C.S, Pinkner, J, Slattegard, R, Zavialov, A, Choudhury, D, Langermann, S, Hultgren, S.J, Wyns, L, Klemm, P, Oscarson, S, Knight, S.D, De Greve, H. 登録日 2004-06-21 公開日 2005-05-03 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Receptor binding studies disclose a novel class of high-affinity inhibitors of the Escherichia coli FimH adhesin Mol.Microbiol., 55, 2005
1OJ4	Ternary complex of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 分子名称: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... 著者 Miallau, L, Alphey, M.S, Hunter, W.N. 登録日 2003-06-30 公開日 2003-07-31 最終更新日 2019-10-16 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Biosynthesis of Isoprenoids: Crystal Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase Proc.Natl.Acad.Sci.USA, 100, 2003
1M03	Mutant Streptomyces plicatus beta-hexosaminidase (D313A) in complex with product (GlcNAc) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... 著者 Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. 登録日 2002-06-11 公開日 2002-12-11 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state. J.Biol.Chem., 277, 2002
1VS2	Interactions of quinoxaline antibiotic and DNA: the molecular structure of a TRIOSTIN A-D(GCGTACGC) complex 分子名称: 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', TRIOSTIN A 著者 Wang, A.H.-J, Ughetto, G, Quigley, G.J, Rich, A. 登録日 1986-10-21 公開日 2006-06-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Interactions of Quinoxaline Antibiotic and DNA: The Molecular Structure of a Triostin A-D(Gcgtacgc) Complex. J.Biomol.Struct.Dyn., 4, 1986
4MOF	Pyranose 2-oxidase H450G mutant with 2-fluorinated glucose 分子名称: 2-deoxy-2-fluoro-alpha-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase 著者 Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. 登録日 2013-09-12 公開日 2014-02-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
4MOI	Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated glucose 分子名称: 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase 著者 Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. 登録日 2013-09-12 公開日 2014-02-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
4BNY	Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8A resolution 分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine 著者 Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. 登録日 2013-05-17 公開日 2013-09-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
2WI5	Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone 分子名称: 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. 登録日 2009-05-08 公開日 2009-07-28 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
2WI4	Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone 分子名称: 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA 著者 Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. 登録日 2009-05-08 公開日 2009-07-28 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
1R9V	NMR Structure of a D,L-Alternating Dodecamer of Norleucine 分子名称: BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER 著者 Navarro, E, Celda, B. 登録日 2003-10-31 公開日 2003-12-02 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Solution NMR Structure of a D,L-Alternating Oligonorleucine as a Model of Beta-Helix Biopolymers, 59, 2001
1D83	STRUCTURE REFINEMENT OF THE CHROMOMYCIN DIMER/DNA OLIGOMER COMPLEX IN SOLUTION 分子名称: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... 著者 Gao, X, Mirau, P, Patel, D.J. 登録日 1992-07-22 公開日 1993-07-15 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Structure refinement of the chromomycin dimer-DNA oligomer complex in solution. J.Mol.Biol., 223, 1992
4MQ1	The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor 分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... 著者 Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. 登録日 2013-09-15 公開日 2013-12-11 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
1KEW	The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound 分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, ... 著者 Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. 登録日 2001-11-17 公開日 2002-01-25 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
1ZM1	Crystal structures of complex F. succinogenes 1,3-1,4-beta-D-glucanase and beta-1,3-1,4-cellotriose 分子名称: Beta-glucanase, CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose 著者 Tsai, L.C, Shyur, L.F, Cheng, Y.S, Lee, S.H. 登録日 2005-05-10 公開日 2006-05-10 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase in complex with beta-1,3-1,4-cellotriose J.Mol.Biol., 354, 2005
1PX4	E. COLI (LACZ) BETA-GALACTOSIDASE (G794A) WITH IPTG BOUND 分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Juers, D.H, Hakda, S, Matthews, B.W, Huber, R.E. 登録日 2003-07-02 公開日 2004-06-15 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural Basis for the Altered Activity of Gly794 Variants of Escherichia coli Beta-Galactosidase Biochemistry, 42, 2003
1LK7	Structure of D-Ribose-5-Phosphate Isomerase from in complex with phospho-erythronic acid 分子名称: CHLORIDE ION, D-4-PHOSPHOERYTHRONIC ACID, D-Ribose-5-Phosphate Isomerase, ... 著者 Ishikawa, K, Matsui, I, Payan, F, Cambillau, C, Ishida, H, Kawarabayasi, Y, Kikuchi, H, Roussel, A. 登録日 2002-04-24 公開日 2002-07-03 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Hyperthermostable D-Ribose-5-Phosphate Isomerase from Pyrococcus horikoshii Characterization and Three-Dimensional Structure STRUCTURE, 10, 2002
1CJP	CONCANAVALIN A COMPLEX WITH 4'-METHYLUMBELLIFERYL-ALPHA-D-GLUCOPYRANOSIDE 分子名称: 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE, CALCIUM ION, CONCANAVALIN A, ... 著者 Hamodrakas, S.J, Kanellopoulos, P.N, Tucker, P.A. 登録日 1996-10-03 公開日 1997-10-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 The crystal structure of the complex of concanavalin A with 4'-methylumbelliferyl-alpha-D-glucopyranoside. J.Struct.Biol., 118, 1997
1WBF	WINGED BEAN LECTIN, SACCHARIDE FREE FORM 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... 著者 Manoj, N, Srinivas, V.R, Suguna, K. 登録日 1998-12-16 公開日 1999-12-22 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of basic winged-bean lectin and a comparison with its saccharide-bound form. Acta Crystallogr.,Sect.D, 55, 1999
1JG9	Crystal Structure of Amylosucrase from Neisseria polysaccharea in Complex with D-glucose 分子名称: Amylosucrase, alpha-D-glucopyranose 著者 Mirza, O, Skov, L.K, Gajhede, M. 登録日 2001-06-23 公開日 2001-10-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Crystal structures of amylosucrase from Neisseria polysaccharea in complex with D-glucose and the active site mutant Glu328Gln in complex with the natural substrate sucrose. Biochemistry, 40, 2001
1UYX	Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellobiose 分子名称: CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose 著者 Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. 登録日 2004-03-03 公開日 2004-03-11 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004

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