PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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5TFU	Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex 分子名称: (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Hsu, M.H, Johnson, E.F. 登録日 2016-09-26 公開日 2017-01-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
6UDL	Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700 分子名称: Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone 著者 Bart, A.G, Scott, E.E. 登録日 2019-09-19 公開日 2020-09-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents Drug Metab.Dispos., 2021
5DW1	X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution 分子名称: 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, SODIUM ION 著者 White, A, Fontano, E, Suto, R.K. 登録日 2015-09-22 公開日 2016-06-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 RVX-297- a novel BD2 selective inhibitor of BET bromodomains. Biochem.Biophys.Res.Commun., 477, 2016
5WWI	Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) 分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... 著者 Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. 登録日 2017-01-01 公開日 2018-01-17 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (3.194 Å) 主引用文献 Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1). To Be Published
5WWD	Crystal structure of AtNUDX1 分子名称: AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ... 著者 Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P. 登録日 2016-12-31 公開日 2017-11-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.386 Å) 主引用文献 Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis. Mol Plant, 11, 2018
5G0W	InhA in complex with a DNA encoded library hit 分子名称: (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide, ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, ... 著者 Read, J.A, Breed, J. 登録日 2016-03-22 公開日 2016-11-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
5X1K	Vanillate/3-O-methylgallate O-demethylase, LigM, 3-O-methylgallate complex form 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methoxy-4,5-bis(oxidanyl)benzoic acid, ... 著者 Harada, A, Senda, T. 登録日 2017-01-26 公開日 2017-05-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6 FEBS J., 284, 2017
5G0S	InhA in complex with a DNA encoded library hit 分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Read, J.A, Breed, J. 登録日 2016-03-22 公開日 2016-11-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
7CSF	AtPrR1 with NADP+ and (-)secoisolariciresinol 分子名称: (2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1 著者 Shao, K, Zhang, P. 登録日 2020-08-14 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.98241806 Å) 主引用文献 Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
7CSB	AtPrR1 with NADP+ and (+)pinoresinol 分子名称: 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1 著者 Shao, K, Zhang, P. 登録日 2020-08-14 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.002017 Å) 主引用文献 Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
4RUT	crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid 分子名称: (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. 登録日 2014-11-21 公開日 2015-02-11 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase. J.Biol.Chem., 290, 2015
3IBD	Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole 分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. 登録日 2009-07-15 公開日 2010-01-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution. Mol.Pharmacol., 77, 2010
5DN1	Crystal structure of Phosphoribosyl isomerase A from Streptomyces coelicolor 分子名称: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, GLYCEROL, Phosphoribosyl isomerase A, ... 著者 Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2015-09-09 公開日 2015-09-30 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.953 Å) 主引用文献 Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop. Biochem. J., 473, 2016
5G0V	InhA in complex with a DNA encoded library hit 分子名称: ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide, ... 著者 Read, J.A, Breed, J. 登録日 2016-03-22 公開日 2016-11-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
4KG0	Crystal structure of the drosophila melanogaster neuralized-nhr1 domain 分子名称: MAGNESIUM ION, Protein neuralized 著者 Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Bolanos-Garcia, V.M, Blundell, T.L. 登録日 2013-04-28 公開日 2014-01-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure, biochemical and biophysical characterisation of NHR1 domain of E3 Ubiquitin ligase neutralized Advances in Enzyme Research, 1, 2013
5WOO	The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with Myristic acid (C14:0) to 1.78 Angstrom resolution 分子名称: EDD domain protein, DegV family, GLYCEROL, ... 著者 Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. 登録日 2017-08-02 公開日 2018-11-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins. J. Biol. Chem., 294, 2019
4YYZ	11B-HYDROXYSTEROID DEHYDROGENASE TYPE I IN COMPLEX WITH INHIBITOR 分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Branden, G, Boden, C, Ogg, D. 登録日 2015-03-24 公開日 2016-02-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Design of pyrozolo-pyrimidines as 11beta-HSD1 inhibitors through optimisation of molecular electrostatic potential. Medchemcomm, 6, 2016
6RSV	Endothiapepsin in complex with 017 分子名称: 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Magari, F, Heine, A, Klebe, G. 登録日 2019-05-22 公開日 2020-07-08 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Endothiapepsin in complex with 017 To Be Published
1MUU	2.0 A crystal structure of GDP-mannose dehydrogenase 分子名称: GDP-mannose 6-dehydrogenase, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ... 著者 Snook, C.F, Tipton, P.A, Beamer, L.J. 登録日 2002-09-24 公開日 2003-05-06 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Crystal structure of GDP-mannose dehydrogenase: A key enzyme of alginate biosynthesis in P. aeruginosa Biochemistry, 42, 2003
4IQL	Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN 分子名称: Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... 著者 Hevener, K.E, Santarsiero, B.D, Su, P.-C, Boci, T, Truong, K, Johnson, M.E, Mehboob, S. 登録日 2013-01-11 公開日 2014-01-29 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.938 Å) 主引用文献 Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK). Acta Crystallogr F Struct Biol Commun, 74, 2018
6BPN	The crystal structure of the Ferric-Catecholate import receptor Fiu from E. coli K12: Open form (C2221) 分子名称: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 著者 Grinter, R. 登録日 2017-11-23 公開日 2018-11-28 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The structure of the bacterial iron-catecholate transporter Fiu suggests that it imports substrates via a two-step mechanism. J.Biol.Chem., 2019
5U9J	Crystal structure of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) complexed with geranyl geranyl pyrophoshate 分子名称: Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1), GERAN-8-YL GERAN, ISOPROPYL ALCOHOL, ... 著者 Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O. 登録日 2016-12-16 公開日 2017-07-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
9F70	BAZ2A bromodomain in complex with acetylpyrrole derivative compound 23-TND13 分子名称: 1,2-ETHANEDIOL, 1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A 著者 Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. 登録日 2024-05-02 公開日 2025-05-14 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Unusual backfolded binding poses of BAZ2A bromodomain binders To Be Published
9F71	BAZ2A bromodomain in complex with acetylpyrrole derivative compound 26-TND18 分子名称: 1,2-ETHANEDIOL, 1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ... 著者 Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. 登録日 2024-05-02 公開日 2025-05-14 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Unusual backfolded binding poses of BAZ2A bromodomain binders To Be Published
6BVL	Ras:SOS:Ras in complex with a small molecule activator 分子名称: FORMIC ACID, GLYCEROL, GTPase HRAS, ... 著者 Phan, J, Abbott, J, Fesik, S.W. 登録日 2017-12-13 公開日 2018-10-24 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.748 Å) 主引用文献 Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling. J. Med. Chem., 61, 2018

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