PDB: 242842 件ウェブページステータス検索Chemie searchBIRD

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3ESS	Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with the 1,8-Naphthalimide inhibitor 分子名称: 1H-benzo[de]isoquinoline-1,3(2H)-dione, Cholix toxin 著者 Merrill, A.R, Jorgensen, R. 登録日 2008-10-06 公開日 2009-09-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.191 Å) 主引用文献 Yeast as a tool for characterizing mono-ADP-ribosyltransferase toxins Fems Microbiol.Lett., 300, 2009
3SVW	Crystal Structure of the P107V-MauG/pre-Methylamine Dehydrogenase Complex 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-07-12 公開日 2012-05-02 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Proline 107 is a major determinant in maintaining the structure of the distal pocket and reactivity of the high-spin heme of MauG. Biochemistry, 51, 2012
3CCT	Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors 分子名称: (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase 著者 Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. 登録日 2008-02-26 公開日 2008-06-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
3SXT	Crystal Structure of the Quinol Form of Methylamine Dehydrogenase in Complex with the Diferrous Form of MauG 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, HEME C, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-07-15 公開日 2012-07-25 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Crystal Structure of the Quinol Form of Methylamine Dehydrogenase in Complex with the Diferrous Form of MauG To be Published
2XJK	Monomeric Human Cu,Zn Superoxide dismutase 分子名称: COPPER (II) ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION 著者 Saraboji, K, Leinartaite, L, Nordlund, A, Oliveberg, M, Logan, D.T. 登録日 2010-07-07 公開日 2010-09-01 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Folding Catalysis by Transient Coordination of Zn2+ to the Cu Ligands of the Als-Associated Enzyme Cu/Zn Superoxide Dismutase 1. J.Am.Chem.Soc., 132, 2010
3SWS	Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of MauG 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-07-14 公開日 2012-07-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of MauG To be Published
3O4R	Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4) 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dehydrogenase/reductase SDR family member 4, ... 著者 Ugochukwu, E, Bhatia, C, Krojer, T, Vollmar, M, Yue, W.W, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) 登録日 2010-07-27 公開日 2010-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4) To be Published
1J96	Human 3alpha-HSD type 3 in Ternary Complex with NADP and Testosterone 分子名称: 3alpha-hydroxysteroid dehydrogenase type 3, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Nahoum, V, Labrie, F, Lin, S.-X. 登録日 2001-05-23 公開日 2002-05-23 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structure of the human 3alpha-hydroxysteroid dehydrogenase type 3 in complex with testosterone and NADP at 1.25-A resolution. J.Biol.Chem., 276, 2001
2XTS	Crystal Structure of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus 分子名称: CALCIUM ION, COBALT (II) ION, CYTOCHROME, ... 著者 Zander, U, Faust, A, Klink, B.U, de Sanctis, D, Panjikar, S, Quentmeier, A, Bardischewski, F, Friedrich, C.G, Scheidig, A.J. 登録日 2010-10-12 公開日 2010-12-08 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Structural Basis for the Oxidation of Protein-Bound Sulfur by the Sulfur Cycle Molybdohemo-Enzyme Sulfane Dehydrogenase Soxcd. J.Biol.Chem., 286, 2011
2JYB	binary hvDHFR1:folate complex 分子名称: Dihydrofolate reductase 著者 Boroujerdi, A.A.F.B, Young, J.K. 登録日 2007-12-10 公開日 2008-10-21 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 NMR-derived folate-bound structure of dihydrofolate reductase 1 from the halophile Haloferax volcanii. Biopolymers, 91, 2009
4R5H	Crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide-Adenine-Dinucleotide-Phosphate and 3-carboxy-propenyl-phthalic acid 分子名称: 1,2-ETHANEDIOL, 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ... 著者 Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. 登録日 2014-08-21 公開日 2014-12-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014
3RN1	Crystal Structure of the W199E-MauG/pre-Methylamine Dehydrogenase Complex 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-04-21 公開日 2012-04-25 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Mutagenesis of tryptophan199 reveals that electron hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis To be Published
7LCU	X-ray structure of Furin bound to BOS-318, a small molecule inhibitor 分子名称: (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Campobasso, N, Reid, R. 登録日 2021-01-11 公開日 2022-01-12 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease. Cell Chem Biol, 29, 2022
3RMZ	Crystal Structure of the W199F-MauG/pre-Methylamine Dehydrogenase Complex 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-04-21 公開日 2011-10-05 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Mutagenesis of tryptophan199 suggests that hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis. Proc.Natl.Acad.Sci.USA, 108, 2011
5TEI	Structure of human ALDH1A1 with inhibitor CM039 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... 著者 Morgan, C.A, Hurley, T.D. 登録日 2016-09-21 公開日 2017-09-27 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of human ALDH1A1 with inhibitor CM039 To Be Published
1BW9	PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE 分子名称: 1,2-ETHANEDIOL, 3-PHENYLPYRUVIC ACID, ISOPROPYL ALCOHOL, ... 著者 Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M. 登録日 1998-10-01 公開日 1999-05-18 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism. Biochemistry, 38, 1999
2Y6F	Isopenicillin N synthase with AC-D-S-methyl-3R-methylcysteine 分子名称: (2S)-2-AMINO-6-[[(2R)-1-[[(2S)-1-HYDROXY-3-METHYLSULFANYL-1-OXO-BUTAN-2-YL]AMINO]-1-OXO-3-SULFANYL-PROPAN-2-YL]AMINO]-6-OXO-HEXANOIC ACID, FE (III) ION, ISOPENICILLIN N SYNTHASE, ... 著者 Rutledge, P.J, Clifton, I.J, Ge, W. 登録日 2011-01-21 公開日 2011-08-31 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Isopenicillin N Synthase Binds Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Thia-Allo-Isoleucine Through Both Sulfur Atoms. Chembiochem, 12, 2011
1XU9	Crystal Structure of the Interface Closed Conformation of 11b-hydroxysteroid dehydrogenase isozyme 1 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase, ... 著者 Hosfield, D.J, Wu, Y, Skene, R.J, Hilger, M, Jennings, A, Snell, G.P, Aertgeerts, K. 登録日 2004-10-25 公開日 2004-11-02 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Conformational Flexibility in Crystal Structures of Human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation. J.Biol.Chem., 280, 2005
4MMM	Human Pdrx5 complex with a ligand BP7 分子名称: 1,1'-BIPHENYL-3,4-DIOL, Peroxiredoxin-5, mitochondrial 著者 Guichou, J.F. 登録日 2013-09-09 公開日 2014-07-30 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5 Plos One, 9, 2014
1CRU	SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS IN COMPLEX WITH PQQ AND METHYLHYDRAZINE 分子名称: CALCIUM ION, GLYCEROL, METHYLHYDRAZINE, ... 著者 Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. 登録日 1999-08-16 公開日 2000-03-01 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Active-site structure of the soluble quinoprotein glucose dehydrogenase complexed with methylhydrazine: a covalent cofactor-inhibitor complex. Proc.Natl.Acad.Sci.USA, 96, 1999
1XXX	Crystal structure of Dihydrodipicolinate Synthase (DapA, Rv2753c) from Mycobacterium tuberculosis 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Dihydrodipicolinate synthase, ... 著者 Kefala, G, Panjikar, S, Janowski, R, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) 登録日 2004-11-09 公開日 2006-02-14 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Crystal structure and kinetic study of dihydrodipicolinate synthase from Mycobacterium tuberculosis. Biochem.J., 411, 2008
3P7Y	Pentaerythritol tetranitrate reductase co-crystal structure with bound (E)-1-(2'-hydroxyphenyl)-2-nitroethene 分子名称: 2-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase 著者 Toogood, H.S, Scrutton, N.S. 登録日 2010-10-13 公開日 2011-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity. Chembiochem, 12, 2011
1CW7	LOW TEMPERATURE STRUCTURE OF WILD-TYPE IDH COMPLEXED WITH MG-ISOCITRATE 分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... 著者 Stroud, M.R, Finer-Moore, J. 登録日 1999-08-25 公開日 1999-09-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase. J.Mol.Biol., 295, 2000
4QR6	Human Aldose Reductase complexed with a ligand with an IDD structure (2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-fluoro-phenoxy]acetic acid) at 1.05 A 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2014-06-30 公開日 2015-08-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation To be Published
3O5A	Crystal Structure of partially reduced Periplasmic Nitrate Reductase from Cupriavidus necator using Ionic Liquids 分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... 著者 Coelho, C, Trincao, J, Romao, M.J. 登録日 2010-07-28 公開日 2011-04-06 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 The crystal structure of Cupriavidus necator nitrate reductase in oxidized and partially reduced states J.Mol.Biol., 408, 2011

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