PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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4Y2T	Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol 分子名称: 3-[4-(benzyloxy)phenyl]propan-1-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4XRZ	Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex 分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... 著者 Johnson, E.F, Fan, Y. 登録日 2015-01-21 公開日 2015-05-20 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
2M02	3D structure of cap-gly domain of mammalian dynactin determined by magic angle spinning NMR spectroscopy 分子名称: Dynactin subunit 1 著者 Yan, S, Hou, G, Schwieters, C.D, Ahmed, S, Williams, J.C, Polenova, T. 登録日 2012-10-15 公開日 2013-05-08 最終更新日 2024-05-15 実験手法 SOLID-STATE NMR 主引用文献 Three-Dimensional Structure of CAP-Gly Domain of Mammalian Dynactin Determined by Magic Angle Spinning NMR Spectroscopy: Conformational Plasticity and Interactions with End-Binding Protein EB1. J.Mol.Biol., 425, 2013
5BXI	1.7 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii with Tyrosine of Tag Bound to Active Site 分子名称: BICARBONATE ION, DI(HYDROXYETHYL)ETHER, Nucleoside diphosphate kinase 著者 Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2015-06-09 公開日 2015-06-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
5C4U	Identification of a Novel Allosteric Binding Site for RORgt Inhibitors 分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma 著者 Parthasarathy, G, Soisson, S. 登録日 2015-06-18 公開日 2015-12-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Identification of an allosteric binding site for ROR gamma t inhibition. Nat Commun, 6, 2015
4XV1	B-Raf Kinase V600E oncogenic mutant in complex with PLX7904 分子名称: N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf 著者 Zhang, Y, Zhang, C. 登録日 2015-01-26 公開日 2015-10-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
2MAD	THE ACTIVE SITE STRUCTURE OF METHYLAMINE DEHYDROGENASE: HYDRAZINES IDENTIFY C6 AS THE REACTIVE SITE OF THE TRYPTOPHAN DERIVED QUINONE COFACTOR 分子名称: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT) 著者 Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J. 登録日 1992-05-20 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor. Biochemistry, 31, 1992
4XXS	Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine 分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... 著者 Parris, K.D, Pandit, J. 登録日 2015-01-30 公開日 2015-04-01 最終更新日 2015-04-22 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
4XZU	Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody 分子名称: 3E6 antibody Fab heavy chain, 3E6 antibody Fab light chain, Coagulation factor VIII, ... 著者 Spiegel, P.C, Wuerth, M.E. 登録日 2015-02-05 公開日 2015-12-09 最終更新日 2019-12-04 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Structure of the Human Factor VIII C2 Domain in Complex with the 3E6 Inhibitory Antibody. Sci Rep, 5, 2015
2MXO	NMR structure of spider toxin- G7W/N24S mutant of TRTX-Hhn2b 分子名称: Mu-theraphotoxin-Hhn2b 著者 Klint, J.K, Chin, Y.K.Y, Mobli, M. 登録日 2015-01-08 公開日 2015-12-23 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Rational Engineering Defines a Molecular Switch That Is Essential for Activity of Spider-Venom Peptides against the Analgesics Target NaV1.7 Mol.Pharmacol., 88, 2015
4Y2V	Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid 分子名称: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2S	Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol 分子名称: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
2MUS	HADDOCK calculated model of LIN5001 bound to the HET-s amyloid 分子名称: 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s 著者 Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. 登録日 2014-09-16 公開日 2017-02-01 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structure-based drug design identifies polythiophenes as antiprion compounds. Sci Transl Med, 7, 2015
5BY9	The crystal structure of polyglycilated 14-3-3 protein from Giardia intestinalis 分子名称: 14-3-3 protein 著者 Fiorillo, A, Ilari, A, Lalle, M. 登録日 2015-06-10 公開日 2016-04-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions. J.Chem.Inf.Model., 55, 2015
4Y87	Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) 分子名称: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Huang, M. 登録日 2015-02-16 公開日 2015-09-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
2N6B	NMR structure of the de-novo toxin Hui1 分子名称: Hui1 著者 Mendelman, N, Zhao, R, Goldstein, S.A.N, Chill, J.H. 登録日 2015-08-17 公開日 2015-12-16 最終更新日 2015-12-30 実験手法 SOLUTION NMR 主引用文献 Designer and natural peptide toxin blockers of the KcsA potassium channel identified by phage display. Proc.Natl.Acad.Sci.USA, 112, 2015
4YK5	Crystal Structures of mPGES-1 Inhibitor Complexes 分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, GLUTATHIONE, ... 著者 Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. 登録日 2015-03-04 公開日 2015-07-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
4Y73	Crystal structure of IRAK4 kinase domain with inhibitor 分子名称: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 著者 Lesburg, C.A. 登録日 2015-02-13 公開日 2015-05-20 最終更新日 2015-07-15 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4. Acs Med.Chem.Lett., 6, 2015
2MP9	Solution structure of an potent antifungal peptide Cm-p5 derived from C. muricatus 分子名称: Antifungal peptide 著者 Sun, Z.J, Heffron, G, Mcbeth, C, Wagner, G, Otero-Gonzales, A.J, Starnbach, M.N. 登録日 2014-05-14 公開日 2015-08-12 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Cm-p5: an antifungal hydrophilic peptide derived from the coastal mollusk Cenchritis muricatus (Gastropoda: Littorinidae). Faseb J., 29, 2015
2N1R	NMR Structure of the Myristylated Feline Immunodeficiency Virus Matrix Protein 分子名称: Matrix protein p15 著者 Brown, L.A, Cox, C, Button, R.J, Baptiste, J, Bahlow, K, Spurrier, V, Luttge, B.G, Kuo, L, Freed, E.O, Summers, M.F, Kyser, J, Summers, H.R. 登録日 2015-04-15 公開日 2015-05-27 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 NMR structure of the myristylated feline immunodeficiency virus matrix protein. Viruses, 7, 2015
4YHB	Crystal structure of a siderophore utilization protein from T. fusca 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Iron-chelator utilization protein, ... 著者 Li, K, Bruner, S.D. 登録日 2015-02-27 公開日 2015-07-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8892 Å) 主引用文献 Structure and Mechanism of the Siderophore-Interacting Protein from the Fuscachelin Gene Cluster of Thermobifida fusca. Biochemistry, 54, 2015
4YRK	Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (4-chlorophenyl)methanol (Chem 260) 分子名称: (4-chlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... 著者 Koh, C.-Y, Hol, W.G.J. 登録日 2015-03-15 公開日 2015-08-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YTY	Structure of rat xanthine oxidoreductase, C535A/C992R/C1324S, NADH bound form 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ... 著者 Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F. 登録日 2015-03-18 公開日 2015-04-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase. Febs J., 282, 2015
4YMK	Crystal Structure of Stearoyl-Coenzyme A Desaturase 1 分子名称: Acyl-CoA desaturase 1, STEAROYL-COENZYME A, ZINC ION, ... 著者 Bai, Y, McCoy, J.G, Rajashankar, K.R, Zhou, M. 登録日 2015-03-06 公開日 2015-06-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.605 Å) 主引用文献 X-ray structure of a mammalian stearoyl-CoA desaturase. Nature, 524, 2015
5CEO	DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile 分子名称: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12 著者 HARRIS, S.F, YIN, J. 登録日 2015-07-07 公開日 2015-10-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J.Med.Chem., 58, 2015

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