PDB: 46984 件ウェブページステータス検索Chemie searchBIRD

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4OBC	Crystal structure of HCV polymerase NS5b genotype 2a JFH-1 isolate with the S15G, C223H, V321I resistance mutations against the guanosine analog GS-0938 (PSI-3529238) 分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Edwards, T.E, Abendroth, J, Appleby, T.C. 登録日 2014-01-07 公開日 2014-09-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Molecular and Structural Basis for the Roles of Hepatitis C Virus Polymerase NS5B Amino Acids 15, 223, and 321 in Viral Replication and Drug Resistance. Antimicrob.Agents Chemother., 58, 2014
4OCT	Crystal structure of human ALKBH5 crystallized in the presence of Mn^{2+} and 2-oxoglutarate 分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5, ... 著者 Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2014-01-09 公開日 2014-04-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation. J.Biol.Chem., 289, 2014
1OZE	Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1:Catalytic Implications 分子名称: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE 著者 Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. 登録日 2003-04-08 公開日 2003-08-05 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
1OYL	Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications 分子名称: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE 著者 Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. 登録日 2003-04-05 公開日 2003-08-05 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
3ARQ	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with IDARUBICIN 分子名称: Chitinase A, GLYCEROL, IDARUBICIN 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3AS3	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran 分子名称: 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
5ADN	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl) quinolin-2-amine 分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2015-08-20 公開日 2015-10-28 最終更新日 2015-11-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
3ARZ	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran 分子名称: 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARV	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with Sanguinarine 分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARR	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with PENTOXIFYLLINE 分子名称: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3AS2	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with Propentofylline 分子名称: 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3UDR	Crystal Structure of BACE with Compound 14 分子名称: 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... 著者 Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. 登録日 2011-10-28 公開日 2012-04-18 最終更新日 2018-04-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
4MVW	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) 分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. 登録日 2013-09-24 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.901 Å) 主引用文献 Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
4YQH	2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A 分子名称: 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ... 著者 Burdi, D, Herman, L, Wang, T. 登録日 2015-03-13 公開日 2015-04-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.308 Å) 主引用文献 Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A. Bioorg.Med.Chem.Lett., 25, 2015
4N8E	DPP4 complexed with compound 12a 分子名称: 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... 著者 Ostermann, N, Zink, F, Kroemer, M. 登録日 2013-10-17 公開日 2014-02-12 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 24, 2014
2Z6K	Crystal structure of full-length human RPA14/32 heterodimer 分子名称: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit 著者 Deng, X, Habel, J.E, Kabaleeswaran, V, Borgstahl, G.E. 登録日 2007-08-03 公開日 2007-12-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation J.Mol.Biol., 374, 2007
3AS0	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with Sanguinarine 分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARO	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure 分子名称: Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARY	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran 分子名称: 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARS	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure of mutant W275G 分子名称: Chitinase A 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
4Q6X	Structure of phospholipase D Beta1B1i from Sicarius terrosus venom at 2.14 A resolution 分子名称: MAGNESIUM ION, Phospholipase D StSicTox-betaIC1 著者 Lajoie, D.M, Roberts, S.A, Zobel-Thropp, P.A, Binford, G.J, Cordes, M.H. 登録日 2014-04-23 公開日 2015-03-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Variable Substrate Preference among Phospholipase D Toxins from Sicariid Spiders. J.Biol.Chem., 290, 2015
3ARX	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with Propentofylline 分子名称: 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3ARU	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with PENTOXIFYLLINE 分子名称: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011
3W3A	Crystal structure of V1-ATPase at 3.9 angstrom resolution 分子名称: ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... 著者 Nagamatsu, Y, Takeda, K, Kuranaga, T, Numoto, N, Miki, K. 登録日 2012-12-14 公開日 2013-05-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.9 Å) 主引用文献 Origin of Asymmetry at the Intersubunit Interfaces of V1-ATPase from Thermusthermophilus J.Mol.Biol., 425, 2013
3ART	Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with DEQUALINIUM 分子名称: Chitinase A, DEQUALINIUM, GLYCEROL 著者 Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. 登録日 2010-12-09 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms J.Biol.Chem., 286, 2011

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