PDB: 42250 件ウェブページステータス検索Chemie searchBIRD

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7PE3	Pseudo-atomic model of the tetrahedral 24mer of Hsp17 from Caenorhabditis elegans 分子名称: SHSP domain-containing protein 著者 Rossa, B, Weinkauf, S, Buchner, J. 登録日 2021-08-09 公開日 2022-12-14 最終更新日 2024-07-17 実験手法 ELECTRON MICROSCOPY (6.49 Å) 主引用文献 The permanently chaperone-active small heat shock protein Hsp17 from Caenorhabditis elegans exhibits topological separation of its N-terminal regions. J.Biol.Chem., 299, 2022
4Q7B	Human Aldose Reductase complexed with a ligand with an IDD structure ([2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid) at 1.19 A 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2014-04-24 公開日 2015-06-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation To be Published
8STB	The structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX 分子名称: GLYCEROL, Glyoxalase, SULFATE ION, ... 著者 Luo, Z, Jia, X, Yan, X, Qu, X, Kobe, B. 登録日 2023-05-09 公開日 2024-05-22 最終更新日 2025-06-04 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 An enzymatic dual-oxa Diels-Alder reaction constructs the oxygen-bridged tricyclic acetal unit of (-)-anthrabenzoxocinone. Nat.Chem., 2025
4ZKW	Crystal structure of the PmFTN variant E44Q soaked in iron (45 min) 分子名称: FE (III) ION, Ferritin 著者 Pfaffen, S, Murphy, M.E.P. 登録日 2015-04-30 公開日 2015-09-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A Diatom Ferritin Optimized for Iron Oxidation but Not Iron Storage. J.Biol.Chem., 290, 2015
6ULZ	Adenylation domain of the initiation module of LgrA mutant P483M 分子名称: 3-METHYL-2-OXOBUTANOIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FORMIC ACID, ... 著者 Chiche-Lapierre, C, Alonzo, D.A, Schmeing, T.M. 登録日 2019-10-08 公開日 2020-02-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis. Nat.Chem.Biol., 16, 2020
4Q9S	Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) 分子名称: 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1 著者 Argiriadi, M.A, George, D.M. 登録日 2014-05-01 公開日 2014-07-02 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit. J.Med.Chem., 58, 2015
6TX5	CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE 分子名称: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION 著者 Fiegen, D, Draxler, S.W. 登録日 2020-01-13 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
6CXT	Crystal structure of FAD-dependent dehydrogenase 分子名称: 1,2-ETHANEDIOL, Alpha/beta hydrolase fold protein, Butyryl-CoA dehydrogenase, ... 著者 Agarwal, V. 登録日 2018-04-04 公開日 2019-01-16 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein. Biochemistry, 58, 2019
4PYY	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-03-28 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
6CXK	E. coli DHFR substrate complex with Dihydrofolate 分子名称: CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... 著者 Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. 登録日 2018-04-03 公開日 2019-01-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.108 Å) 主引用文献 The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
2ANC	Crystal Structure Of Unliganded Form Of Oligomeric E.coli Guanylate Kinase 分子名称: Guanylate kinase 著者 Hible, G, Renault, L, Schaeffer, F, Christova, P, Radulescu, A.Z, Evrin, C, Gilles, A.M, Cherfils, J. 登録日 2005-08-11 公開日 2005-08-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Calorimetric and crystallographic analysis of the oligomeric structure of Escherichia coli GMP kinase J.Mol.Biol., 352, 2005
4Z6F	Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable TTP and MANGANESE 分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(6OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... 著者 Koag, M.-C, Lee, S. 登録日 2015-04-04 公開日 2016-04-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.444 Å) 主引用文献 Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta. Biochem. J., 475, 2018
6D04	Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; two molecules of parasite ligand, subclass 1. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H. 登録日 2018-04-10 公開日 2018-06-20 最終更新日 2024-10-23 実験手法 ELECTRON MICROSCOPY (3.74 Å) 主引用文献 Cryo-EM structure of an essential Plasmodium vivax invasion complex. Nature, 559, 2018
7SEX	M. tb EgtD in complex with TGX221 分子名称: 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase 著者 Sudasinghe, T.D, Ronning, D.R. 登録日 2021-10-02 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
4IA7	Diastereotopic and Deuterium Effects in Gemini 分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... 著者 Maehr, H, Rochel, N, Suh, N, Uskokovic, M. 登録日 2012-12-06 公開日 2013-04-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
4QF2	Crystal structure of human BAZ2A PHD zinc finger in the free form 分子名称: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ... 著者 Tallant, C, Overvoorde, L, Van Molle, I, Chirgadze, D.Y, Ciulli, A. 登録日 2014-05-19 公開日 2014-07-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC. Structure, 23, 2015
4IA1	Diastereotopic and Deuterium Effects in Gemini 分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... 著者 Maehr, H, Rochel, N, Suh, N, Uskokovic, M. 登録日 2012-12-06 公開日 2013-04-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
7SEY	M. tb EgtD in complex with SGH 分子名称: 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase 著者 Sudasinghe, T.D, Ronning, D.R. 登録日 2021-10-02 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
7SEW	M. tb EgtD in complex with HD6 分子名称: 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... 著者 Sudasinghe, T.D, Ronning, D.R. 登録日 2021-10-02 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
6D33	Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyribose-phosphate aldolase, GLYCEROL 著者 Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A. 登録日 2018-04-14 公開日 2019-10-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.502 Å) 主引用文献 Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol. J.Biol.Chem., 295, 2020
7SF5	M. tb EgtD in complex with HD3 分子名称: Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine 著者 Sudasinghe, T.D, Ronning, D.R. 登録日 2021-10-03 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
4I4F	Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound. 分子名称: Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide 著者 Skene, R.J, Hosfield, D.J. 登録日 2012-11-27 公開日 2013-02-06 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg.Med.Chem.Lett., 23, 2013
7SF4	M. tb EgtD in complex with imatinib 分子名称: 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ... 著者 Sudasinghe, T.D, Ronning, D.R. 登録日 2021-10-03 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
6CCX	NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc 分子名称: (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ... 著者 Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. 登録日 2018-02-07 公開日 2018-09-05 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol, 25, 2018
7QLL	rsKiiro Thermal annealing at 290K of 200K Cis intermediate 分子名称: GLYCEROL, SULFATE ION, rsKiiro 著者 van Thor, J.J, Baxter, J.M. 登録日 2021-12-20 公開日 2023-07-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.324 Å) 主引用文献 Optical control of ultrafast structural dynamics in a fluorescent protein. Nat.Chem., 15, 2023

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