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

---

7WNP	Crystallographic structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 determined by both X-ray and neutron diffraction data at 1.72 angstrom resolution. 分子名称: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION 著者 Murakawa, T, Okajima, T. 登録日 2022-01-19 公開日 2022-04-20 最終更新日 2022-05-25 実験手法 NEUTRON DIFFRACTION (1.72 Å), X-RAY DIFFRACTION 主引用文献 Re-evaluation of protein neutron crystallography with and without X-ray/neutron joint refinement. Iucrj, 9, 2022
9DHJ	DHODH in complex with Compound 15 分子名称: (2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Shaffer, P.L. 登録日 2024-09-03 公開日 2024-10-09 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
5UO9	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2017-01-31 公開日 2017-05-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
5A13	Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate 分子名称: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Correia, H.D, Santos-Silva, T. 登録日 2015-04-27 公開日 2015-09-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp. J.Phys.Chem.B, 119, 2015
6M2B	Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 分子名称: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... 著者 Zhu, L, Li, H. 登録日 2020-02-27 公開日 2021-03-03 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
3NKS	Structure of human protoporphyrinogen IX oxidase 分子名称: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Shen, Y. 登録日 2010-06-21 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 Structural insight into human variegate porphyria disease Faseb J., 25, 2011
3E7S	Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 分子名称: ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... 著者 Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. 登録日 2008-08-18 公開日 2008-10-07 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
5ZF9	Structure of human dihydroorotate dehydrogenase in complex with 280-12 分子名称: 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. 登録日 2018-03-02 公開日 2018-09-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol, 9, 2018
3ECJ	Structure of E323L mutant of Homoprotocatechuate 2,3-Dioxygenase from Brevibacterium fuscum at 1.65A resolution 分子名称: CALCIUM ION, CHLORIDE ION, FE (II) ION, ... 著者 Kovaleva, E.G, Lipscomb, J.D. 登録日 2008-08-31 公開日 2008-10-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Intermediate in the O-O Bond Cleavage Reaction of an Extradiol Dioxygenase. Biochemistry, 47, 2008
1Z48	Crystal structure of reduced YqjM from Bacillus subtilis 分子名称: FLAVIN MONONUCLEOTIDE, Probable NADH-dependent flavin oxidoreductase yqjM 著者 Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T. 登録日 2005-03-15 公開日 2005-05-17 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes J.Biol.Chem., 280, 2005
4ASK	CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1 分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... 著者 Chung, C, Mosley, J, Liddle, J. 登録日 2012-05-01 公開日 2012-07-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
5BK9	AAD-1 Bound to the Vanadyl Ion and Succinate 分子名称: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, PHOSPHATE ION, SUCCINIC ACID, ... 著者 Ongpipattanakul, C, Chekan, J.R. 登録日 2019-06-01 公開日 2019-06-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
1Z42	Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-hydroxybenzaldehyde 分子名称: FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZALDEHYDE, Probable NADH-dependent flavin oxidoreductase yqjM, ... 著者 Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T. 登録日 2005-03-15 公開日 2005-05-17 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes J.Biol.Chem., 280, 2005
4ZV8	Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene 分子名称: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2015-05-18 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
5F3I	Crystal structure of human KDM4A in complex with compound 54j 分子名称: 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. 登録日 2015-12-02 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
5F3E	Crystal structure of human KDM4A in complex with compound 54a 分子名称: 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. 登録日 2015-12-02 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
5BTQ	Crystal structure of human heme oxygenase 1 H25R with biliverdin bound 分子名称: BILIVERDINE IX ALPHA, Heme oxygenase 1, SULFATE ION 著者 Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. 登録日 2015-06-03 公開日 2016-06-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis Biochemistry, 55, 2016
1Z44	Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-nitrophenol 分子名称: FLAVIN MONONUCLEOTIDE, P-NITROPHENOL, Probable NADH-dependent flavin oxidoreductase yqjM, ... 著者 Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T. 登録日 2005-03-15 公開日 2005-05-17 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes J.Biol.Chem., 280, 2005
6IQY	High resolution structure of bilirubin oxidase from Myrothecium verrucaria - M467Q mutant, anaerobically prepared 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Bilirubin oxidase, ... 著者 Shibata, N, Akter, M, Higuchi, Y. 登録日 2018-11-09 公開日 2018-11-21 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Redox Potential-Dependent Formation of an Unusual His-Trp Bond in Bilirubin Oxidase. Chemistry, 24, 2018
5BKB	Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate 分子名称: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... 著者 Chekan, J.R, Nair, S.K. 登録日 2019-06-02 公開日 2019-06-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.582 Å) 主引用文献 Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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
4NJ4	Crystal Structure of Human ALKBH5 分子名称: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ... 著者 Aik, W.S, McDonough, M.A, Schofield, C.J. 登録日 2013-11-08 公開日 2014-01-15 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structure of human RNA N6-methyladenine demethylase ALKBH5 provides insights into its mechanisms of nucleic acid recognition and demethylation. Nucleic Acids Res., 42, 2014
4PHZ	Crystal structure of particulate methane monooxygenase from Methylocystis sp. ATCC 49242 (Rockwell) 分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, COPPER (II) ION, Particulate methane monooxygenase subunit A, ... 著者 Sirajuddin, S, Rosenzweig, A.C. 登録日 2014-05-07 公開日 2014-06-25 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Effects of zinc on particulate methane monooxygenase activity and structure. J.Biol.Chem., 289, 2014
5ZF7	Structure of human dihydroorotate dehydrogenase in complex with 277-9-OH 分子名称: 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. 登録日 2018-03-02 公開日 2018-09-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol, 9, 2018
4PTI	THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS 分子名称: TRYPSIN INHIBITOR 著者 Huber, R, Kukla, D, Ruehlmann, A, Epp, O, Formanek, H, Deisenhofer, J, Steigemann, W. 登録日 1982-09-27 公開日 1983-01-18 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983

<1417141814191420142114221423142414251426142714281429143014311432>