PDB: 97138 件ウェブページステータス検索Chemie searchBIRD

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458D	DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG BY A NON-SELF-COMPLEMENTARY AT-RICH SEQUENCE 分子名称: DNA (5'-D(*CP*GP*(CBR)P*AP*TP*AP*TP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3') 著者 Aymami, J, Nunn, C.M, Neidle, S. 登録日 1999-03-10 公開日 1999-06-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand. Nucleic Acids Res., 27, 1999
3OWB	Crystal Structure of HSP90 with VER-49009 分子名称: 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, Heat shock protein HSP 90-alpha 著者 Park, C.H. 登録日 2010-09-17 公開日 2011-09-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
2VCI	4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer 分子名称: 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. 登録日 2007-09-24 公開日 2007-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. J. Med. Chem., 51, 2008
2VCJ	4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer 分子名称: 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. 登録日 2007-09-24 公開日 2007-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. J. Med. Chem., 51, 2008
3RSM	Crystal structure of S108C mutant of PMM/PGM 分子名称: PHOSPHATE ION, Phosphomannomutase/phosphoglucomutase, ZINC ION 著者 Akella, A, Anbanandam, A, Kelm, A, Wei, Y, Mehra-Chaudhary, R, Beamer, L, Van Doren, S. 登録日 2011-05-02 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Solution NMR of a 463-residue phosphohexomutase: domain 4 mobility, substates, and phosphoryl transfer defect. Biochemistry, 51, 2012
3RCE	Bacterial oligosaccharyltransferase PglB 分子名称: MAGNESIUM ION, Oligosaccharide transferase to N-glycosylate proteins, Substrate Mimic Peptide 著者 Lizak, C, Gerber, S, Numao, S, Aebi, M, Locher, K.P. 登録日 2011-03-31 公開日 2011-06-15 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 X-ray structure of a bacterial oligosaccharyltransferase. Nature, 474, 2011
1N97	Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27 分子名称: 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L. 登録日 2002-11-22 公開日 2003-02-25 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus J.Biol.Chem., 278, 2003
4BRX	Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor 分子名称: 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-N-methylbenzamide, FOCAL ADHESION KINASE 1, SULFATE ION 著者 Le Coq, J, Lietha, D. 登録日 2013-06-05 公開日 2013-07-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Synthesis of Novel Diarylamino-1,3,5-Triazine Derivatives as Fak Inhibitors with Anti-Angiogenic Activity. Bioorg.Med.Chem.Lett., 23, 2013
4CQ0	Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes 分子名称: 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ... 著者 Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. 登録日 2014-02-10 公開日 2014-04-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes. J.Med.Chem., 57, 2014
3NV3	Crystal structure of human galectin-9 C-terminal CRD in complex with biantennary oligosaccharide 分子名称: Galectin 9 short isoform variant, NICKEL (II) ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose 著者 Yoshida, H, Kamitori, S. 登録日 2010-07-07 公開日 2010-09-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 X-ray structures of human galectin-9 C-terminal domain in complexes with a biantennary oligosaccharide and sialyllactose J.Biol.Chem., 285, 2010
4B0T	Structure of the Pup Ligase PafA of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PUP--PROTEIN LIGASE 著者 Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. 登録日 2012-07-04 公開日 2012-09-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.159 Å) 主引用文献 Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway. Nat.Commun., 3, 2012
3SW2	X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide 分子名称: 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ... 著者 Klei, H.E. 登録日 2011-07-13 公開日 2011-11-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3SRU	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SRS	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
2RGP	Structure of EGFR in complex with hydrazone, a potent dual inhibitor 分子名称: Epidermal growth factor receptor, N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine, PHOSPHATE ION 著者 Abad, M.C. 登録日 2007-10-04 公開日 2008-08-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
1DAJ	COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE 分子名称: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Gangjee, A, Devraj, R, Queener, S.F, Blakley, R.L. 登録日 1997-07-29 公開日 1997-12-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate. Acta Crystallogr.,Sect.D, 53, 1997
3SRQ	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3T52	L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity 分子名称: ACETATE ION, Arylesterase, CHLORIDE ION, ... 著者 Kazlauskas, R.J, Yin, T, Purpero, V.M. 登録日 2011-07-26 公開日 2012-08-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity To be Published
3Q6G	Crystal structure of Fab of rhesus mAb 2.5B specific for quaternary neutralizing epitope of HIV-1 gp120 分子名称: Heavy chain of Fab of rhesus mAb 2.5B, Light chain of Fab of rhesus mAb 2.5B 著者 Spurrier, B, Sampson, J, Totrov, M, Li, H, O'Neal, T, William, C, Robinson, J, Gorny, M.K, Zolla-Pazner, S, Kong, X.P. 登録日 2010-12-31 公開日 2011-05-25 最終更新日 2013-03-20 実験手法 X-RAY DIFFRACTION (1.902 Å) 主引用文献 Structural Analysis of Human and Macaque mAbs 2909 and 2.5B: Implications for the Configuration of the Quaternary Neutralizing Epitope of HIV-1 gp120. Structure, 19, 2011
3SRR	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SQY	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(2-methoxyphenyl)quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-06 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SR5	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-06 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
3SRW	S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines 分子名称: 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hilgers, M. 登録日 2011-07-07 公開日 2011-08-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
1OGU	STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR 分子名称: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-05-13 公開日 2003-09-02 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2 Bioorg.Med.Chem.Lett., 13, 2003
2OFP	Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate 分子名称: 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Ketopantoate reductase, ... 著者 Ciulli, A, Chirgadze, D.Y, Smith, A.G, Blundell, T.L, Abell, C. 登録日 2007-01-04 公開日 2007-01-16 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal Structure of Escherichia coli Ketopantoate Reductase in a Ternary Complex with NADP+ and Pantoate Bound: SUBSTRATE RECOGNITION, CONFORMATIONAL CHANGE, AND COOPERATIVITY. J.Biol.Chem., 282, 2007

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