PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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1VLR	Crystal structure of mRNA decapping enzyme (DcpS) from Mus musculus at 1.83 A resolution 分子名称: 1,2-ETHANEDIOL, mRNA decapping enzyme 著者 Joint Center for Structural Genomics (JCSG) 登録日 2004-08-10 公開日 2004-08-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Crystal structure of an Apo mRNA decapping enzyme (DcpS) from Mouse at 1.83 A resolution. Proteins, 60, 2005
1REE	ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 3,4-EPOXYBUTYL-BETA-D-XYLOSIDE 分子名称: (3S)-3-hydroxybutyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II 著者 Rouvinen, J, Havukainen, R, Torronen, A. 登録日 1995-12-21 公開日 1997-01-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei. Biochemistry, 35, 1996
3UFN	Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Saquinavir 分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 protease 著者 Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. 登録日 2011-11-01 公開日 2012-03-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements. Biochemistry, 51, 2012
3RSV	Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide 分子名称: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2011-05-02 公開日 2011-08-31 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
1EUB	SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR 分子名称: 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ... 著者 Zhang, X, Gonnella, N.C, Koehn, J, Pathak, N, Ganu, V, Melton, R, Parker, D, Hu, S.I, Nam, K.Y. 登録日 2000-04-14 公開日 2001-04-14 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1. J.Mol.Biol., 301, 2000
3VBX	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3RTN	Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide 分子名称: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2011-05-03 公開日 2011-08-31 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
3VBT	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3RJV	Crystal structure of a putative sel1 repeat protein (kpn_04481) from Klebsiella pneumoniae subsp. pneumoniae at 1.65 a resolution 分子名称: 1,2-ETHANEDIOL, Putative Sel1 repeat protein 著者 Joint Center for Structural Genomics (JCSG) 登録日 2011-04-15 公開日 2011-05-04 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of a Putative Sel1 repeat protein (KPN_04481) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.65 A resolution To be published
2A98	Crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C 分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate 3-kinase C 著者 Hallberg, B.M, Ogg, D, Ehn, M, Graslund, S, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Persson, C, Sagemark, J, Schuler, H, Stenmark, P, Thorsell, A.-G, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Structural Genomics Consortium (SGC) 登録日 2005-07-11 公開日 2005-07-19 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C To be Published
1VQZ	Crystal structure of a putative lipoate-protein ligase a (sp_1160) from streptococcus pneumoniae tigr4 at 1.99 A resolution 分子名称: 1,2-ETHANEDIOL, UNKNOWN LIGAND, lipoate-protein ligase, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2005-01-21 公開日 2005-02-15 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Crystal structure of putative Lipoate-protein ligase (np_345629.1) from Streptococcus pneumoniae tigr4 at 1.99 A resolution To be published
4K8K	Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine 分子名称: 1-(4-methoxyphenyl)cyclopropanecarboxylic acid, 1H-perimidin-2-amine, ADENOSINE, ... 著者 Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2013-04-18 公開日 2013-05-01 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine To be Published
1EWE	Fructose 1,6-Bisphosphate Aldolase from Rabbit Muscle 分子名称: FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE, SULFATE ION 著者 Maurady, A, Sygusch, J. 登録日 2000-04-25 公開日 2001-01-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A conserved glutamate residue exhibits multifunctional catalytic roles in D-fructose-1,6-bisphosphate aldolases. J.Biol.Chem., 277, 2002
2GFH	Crystal structure of a n-acetylneuraminic acid phosphatase (nanp) from mus musculus at 1.90 A resolution 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2006-03-21 公開日 2006-04-18 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of Protein C20orf147 homolog (17391249) from Mus musculus at 1.90 A resolution To be published
4OPX	Structure of Human PARP-1 bound to a DNA double strand break in complex with (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide 分子名称: (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... 著者 Pascal, J.M, Steffen, J.D. 登録日 2014-02-06 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.314 Å) 主引用文献 Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors. J.Med.Chem., 57, 2014
3WIY	Crystal structure of Mcl-1 in complex with compound 10 分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 著者 Sogabe, S, Igaki, S, Hayano, Y. 登録日 2013-09-26 公開日 2013-11-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins. J.Med.Chem., 56, 2013
1NV5	Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate, EDTA and Thallium (5 mM) 分子名称: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ... 著者 Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B. 登録日 2003-02-02 公開日 2003-07-08 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase J.BIOL.CHEM., 278, 2003
2G8N	Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy 分子名称: (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Gee, C.L, Martin, J.L. 登録日 2006-03-02 公開日 2006-09-12 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase J.Med.Chem., 49, 2006
3F78	Crystal structure of wild type LFA1 I domain complexed with isoflurane 分子名称: 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, GLYCEROL, Integrin alpha-L, ... 著者 Zhang, H, Wang, J.-H. 登録日 2008-11-07 公開日 2009-06-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems. Faseb J., 23, 2009
1EX5	FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE FROM RABBIT MUSCLE 分子名称: FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE 著者 Maurady, A, Sygusch, J. 登録日 2000-04-25 公開日 2001-01-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A conserved glutamate residue exhibits multifunctional catalytic roles in D-fructose-1,6-bisphosphate aldolases. J.Biol.Chem., 277, 2002
1EYN	Structure of mura liganded with the extrinsic fluorescence probe ANS 分子名称: 8-ANILINO-1-NAPHTHALENE SULFONATE, GLYCEROL, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE 著者 Schonbrunn, E, Eschenburg, S, Luger, K, Kabsch, W, Amrhein, N. 登録日 2000-05-07 公開日 2000-06-09 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural basis for the interaction of the fluorescence probe 8-anilino-1-naphthalene sulfonate (ANS) with the antibiotic target MurA. Proc.Natl.Acad.Sci.USA, 97, 2000
1RED	ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 4,5-EPOXYPENTYL-BETA-D-XYLOSIDE 分子名称: 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II 著者 Rouvinen, J, Havukainen, R, Torronen, A. 登録日 1995-12-21 公開日 1997-01-11 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei. Biochemistry, 35, 1996
3D61	Crystal Structure Analysis of 1,5-alpha-arabinanase catalytic mutant (AbnBD147A) complexed to arabinobiose 分子名称: CALCIUM ION, Intracellular arabinanase, alpha-L-arabinofuranose-(1-5)-beta-L-arabinofuranose 著者 Alhassid, A, Ben David, A, Shoham, Y, Shoham, G. 登録日 2008-05-18 公開日 2009-04-21 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of an inverting GH 43 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus complexed with its substrate Biochem.J., 422, 2009
4OQB	Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide 分子名称: (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ... 著者 Pascal, J.M, Steffen, J.D. 登録日 2014-02-07 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.362 Å) 主引用文献 Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors. J.Med.Chem., 57, 2014
3D5Z	Crystal Structure Analysis of 1,5-alpha-arabinanase catalytic mutant (AbnBE201A) complexed to arabinotriose 分子名称: CALCIUM ION, Intracellular arabinanase, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-beta-L-arabinofuranose 著者 Alhassid, A, Ben David, A, Shoham, Y, Shoham, G. 登録日 2008-05-18 公開日 2009-04-21 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of an inverting GH 43 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus complexed with its substrate Biochem.J., 422, 2009

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