PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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5VP1	Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders 分子名称: MAGNESIUM ION, N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ... 著者 Hoffman, I.D. 登録日 2017-05-03 公開日 2017-12-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), for the Treatment of Cognitive Disorders. Chem. Pharm. Bull., 65, 2017
9JDW	CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH ALPHA-AMINO BUTYRIC ACID 分子名称: ALPHA-AMINOBUTYRIC ACID, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE) 著者 Fritsche, E, Humm, A, Huber, R. 登録日 1998-10-12 公開日 1999-02-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study. J.Biol.Chem., 274, 1999
5VGI	Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... 著者 Hosfield, D.J. 登録日 2017-04-11 公開日 2017-09-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, 8, 2017
5VGX	Structure of the C. botulinum neurotoxin serotype A with Hg bound 分子名称: ACETATE ION, Botulinum neurotoxin type A, MERCURY (II) ION 著者 Carolan, J.P, Allen, K.N. 登録日 2017-04-11 公開日 2017-05-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A. J. Am. Chem. Soc., 139, 2017
9C5Q	Human DNA polymerase theta helicase domain in microhomology annealed state 2, dimer form 分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*CP*GP*GP*G)-3'), DNA polymerase theta 著者 Ito, F, Li, Z, Chen, X.S. 登録日 2024-06-06 公開日 2024-06-26 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural Basis for Pol theta-Helicase DNA Binding and Microhomology-Mediated End-Joining. Biorxiv, 2024
1MG0	Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol 分子名称: 2,3-DIFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Rubach, J.K, Plapp, B.V. 登録日 2002-08-14 公開日 2002-11-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies Biochemistry, 41, 2002
5VGV	Structure of the C. botulinum neurotoxin serotype A with Cu bound 分子名称: ACETATE ION, Botulinum neurotoxin type A, COPPER (II) ION 著者 Carolan, J.P, Allen, K.N. 登録日 2017-04-11 公開日 2017-05-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A. J. Am. Chem. Soc., 139, 2017
6ZBA	Crystal structure of PDE4D2 in complex with inhibitor LEO39652 分子名称: 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... 著者 Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. 登録日 2020-06-08 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis. J.Med.Chem., 63, 2020
6Z2P	Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate 分子名称: CALCIUM ION, Glycodrosocin, O-glycan protease, ... 著者 Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. 登録日 2020-05-18 公開日 2020-09-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
4V6F	Elongation complex of the 70S ribosome with three tRNAs and mRNA. 分子名称: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 23S RRNA, ... 著者 Jenner, L.B, Yusupova, G, Yusupov, M. 登録日 2009-07-09 公開日 2014-07-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural aspects of messenger RNA reading frame maintenance by the ribosome. Nat.Struct.Mol.Biol., 17, 2010
5VZJ	STRUCTURE OF A TWELVE COMPONENT MPP6-NUCLEAR RNA EXOSOME COMPLEX BOUND TO RNA 分子名称: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ... 著者 Lima, C.D, Wasmuth, E.V. 登録日 2017-05-28 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure and reconstitution of yeast Mpp6-nuclear exosome complexes reveals that Mpp6 stimulates RNA decay and recruits the Mtr4 helicase. Elife, 6, 2017
5W0M	Structure of human TUT7 catalytic module (CM) in complex with U5 RNA 分子名称: IODIDE ION, SULFATE ION, Terminal uridylyltransferase 7, ... 著者 Faehnle, C.R, Walleshauser, J, Joshua-Tor, L. 登録日 2017-05-31 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.298 Å) 主引用文献 Multi-domain utilization by TUT4 and TUT7 in control of let-7 biogenesis. Nat. Struct. Mol. Biol., 24, 2017
1W9W	Structure of a beta-1,3-glucan binding CBM6 from Bacillus halodurans in complex with laminarihexaose 分子名称: BH0236 PROTEIN, SODIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose 著者 Boraston, A.B, van Bueren, A.L. 登録日 2004-10-19 公開日 2004-11-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Family 6 Carbohydrate Binding Modules Recognize the Non-Reducing End of Beta-1,3-Linked Glucans by Presenting a Unique Ligand Binding Surface J.Biol.Chem., 280, 2005
5VP0	Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders 分子名称: MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ... 著者 Hoffman, I.D. 登録日 2017-05-03 公開日 2017-08-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders. J. Med. Chem., 60, 2017
5VEV	Crystal Structure of Phosphoribosylamine-glycine Ligase from Neisseria gonorrhoeae 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Phosphoribosylamine--glycine ligase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-04-05 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of Phosphoribosylamine-glycine Ligase from Neisseria gonorrhoeae To be Published
1MGO	Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, ... 著者 Rubach, J.K, Plapp, B.V. 登録日 2002-08-15 公開日 2002-11-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies Biochemistry, 41, 2002
4W9M	AMPPNP bound Rad50 in complex with dsDNA 分子名称: DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*CP*AP*CP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*GP*AP*CP*CP*GP*AP*CP*C)-3'), Exonuclease, ... 著者 Rojowska, A, Lammens, K. 登録日 2014-08-27 公開日 2015-01-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure of the Rad50 DNA double-strand break repair protein in complex with DNA. Embo J., 33, 2014
4V8H	Crystal structure of HPF bound to the 70S ribosome. 分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... 著者 Polikanov, Y.S, Blaha, G.M, Steitz, T.A. 登録日 2011-12-11 公開日 2014-07-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 How Hibernation Factors RMF, HPF, and YfiA Turn Off Protein Synthesis. Science, 336, 2012
1VSN	Crystal structure of a potent small molecule inhibitor bound to cathepsin K 分子名称: Cathepsin K, N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE 著者 McGrath, M. 登録日 2007-03-19 公開日 2007-04-24 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of a potent and selective non-basic cathepsin K inhibitor. Bioorg.Med.Chem.Lett., 16, 2006
3HAO	Crystal structure of bacteriorhodopsin mutant L94A crystallized from bicelles 分子名称: Bacteriorhodopsin, RETINAL 著者 Joh, N.H, Yang, D, Bowie, J.U. 登録日 2009-05-02 公開日 2009-09-22 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Similar energetic contributions of packing in the core of membrane and water-soluble proteins. J.Am.Chem.Soc., 131, 2009
1VK6	Crystal structure of NADH pyrophosphatase (1790429) from Escherichia coli k12 at 2.20 A resolution 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NADH pyrophosphatase, ZINC ION 著者 Joint Center for Structural Genomics (JCSG) 登録日 2004-04-30 公開日 2004-05-11 最終更新日 2023-01-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of NADH pyrophosphatase (1790429) from Escherichia coli k12 at 2.20 A resolution To be published
4V4I	Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements. 分子名称: 16S SMALL SUBUNIT RIBOSOMAL RNA, 23S LARGE SUBUNIT RIBOSOMAL RNA, 30S ribosomal protein S10, ... 著者 Korostelev, A, Trakhanov, S, Laurberg, M, Noller, H.F. 登録日 2007-02-15 公開日 2014-07-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.71 Å) 主引用文献 Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements Cell(Cambridge,Mass.), 126, 2006
1VRQ	Crystal Structure of Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with Folinic Acid 分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, N,N-DIMETHYLGLYCINE, ... 著者 Ida, K, Moriguchi, T, Suzuki, H. 登録日 2005-04-27 公開日 2005-07-05 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96 BIOCHEM.BIOPHYS.RES.COMMUN., 333, 2005
4W2F	Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites 分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... 著者 Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V. 登録日 2014-09-12 公開日 2014-10-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome. Mol.Cell, 56, 2014
3HAP	Crystal structure of bacteriorhodopsin mutant L111A crystallized from bicelles 分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, DECANE, ... 著者 Joh, N.H, Yang, D, Bowie, J.U. 登録日 2009-05-02 公開日 2009-09-22 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Similar energetic contributions of packing in the core of membrane and water-soluble proteins. J.Am.Chem.Soc., 131, 2009

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