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

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6JKZ	Crystal structure of VvPlpA from Vibrio vulnificus 分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CHLORIDE ION, Thermolabile hemolysin 著者 Ma, Q, Wan, Y, Liu, C. 登録日 2019-03-03 公開日 2019-05-15 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.397 Å) 主引用文献 Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad. J.Biol.Chem., 294, 2019
6GTT	Human STK10 bound to BIRB-796 分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Serine/threonine-protein kinase 10 著者 Berger, B.T, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. 登録日 2018-06-19 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 STK10 bound to BIRB-796 To Be Published
5BVU	Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... 著者 Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. 登録日 2015-06-05 公開日 2016-05-18 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2). Acs Chem.Biol., 11, 2016
3KKU	Cruzain in complex with a non-covalent ligand 分子名称: 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ... 著者 Ferreira, R.S, Eidam, O, Shoichet, B.K. 登録日 2009-11-06 公開日 2010-07-07 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J.Med.Chem., 53, 2010
3KN6	Crystal structure of the C-terminal kinase domain of MSK1 分子名称: Ribosomal protein S6 kinase alpha-5 著者 D'Angelo, I, Malakhova, M, Dong, Z. 登録日 2009-11-12 公開日 2010-04-21 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The crystal structure of the active form of the C-terminal kinase domain of mitogen- and stress-activated protein kinase 1. J.Mol.Biol., 399, 2010
3KPY	Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole 分子名称: 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Martin, J.L. 登録日 2009-11-17 公開日 2010-09-29 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
6SMU	Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,12) 分子名称: Gag protein 著者 Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. 登録日 2019-08-22 公開日 2020-09-09 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (5 Å) 主引用文献 Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
5BX5	Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... 著者 Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. 登録日 2015-06-08 公開日 2016-05-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
7ZYA	Structure of Chit33 from Trichoderma harzianum. 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ... 著者 Jimenez-Ortega, E, Sanz-Aparicio, J. 登録日 2022-05-24 公開日 2022-08-31 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material. Int J Mol Sci, 23, 2022
3KRA	Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium 分子名称: 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ... 著者 Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J. 登録日 2009-11-18 公開日 2010-02-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
3KRO	Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II) 分子名称: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... 著者 Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. 登録日 2009-11-19 公開日 2010-02-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
5BX2	Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside 分子名称: 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ... 著者 Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. 登録日 2015-06-08 公開日 2016-05-18 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
3KQQ	Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid 分子名称: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Martin, J.L. 登録日 2009-11-17 公開日 2010-09-29 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
5C05	Crystal Structure of Gamma-terpinene Synthase from Thymus vulgaris 分子名称: 1,2-ETHANEDIOL, Putative gamma-terpinene synthase 著者 Parthier, C.P, Rudolph, K, Muller, Y.A, Mueller-Uri, F. 登録日 2015-06-12 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Expression, crystallization and structure elucidation of gamma-terpinene synthase from Thymus vulgaris. Acta Crystallogr.,Sect.F, 72, 2016
5WRF	Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs 分子名称: 1,2-ETHANEDIOL, 3-dehydroquinate dehydratase 著者 Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. 登録日 2016-12-01 公開日 2016-12-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs To Be Published
3KXR	Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1. 分子名称: CHLORIDE ION, Magnesium transporter, putative 著者 Fratczak, Z, Zimmerman, M.D, Chruszcz, M, Cymborowski, M, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) 登録日 2009-12-03 公開日 2009-12-15 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1. To be Published
5C0G	HLA-A02 carrying YLGGPDFPTI 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... 著者 Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. 登録日 2015-06-12 公開日 2016-05-04 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
2XEN	Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins With a Redesigned C-capping Module. 分子名称: 1,2-ETHANEDIOL, METHANOL, NI1C MUT4, ... 著者 Kramer, M, Wetzel, S.K, Pluckthun, A, Mittl, P, Grutter, M. 登録日 2010-05-17 公開日 2010-08-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins with a Redesigned C-Capping Module. J.Mol.Biol., 404, 2010
5ZUY	Crystal structure of E134H mutant of phosphomannose isomerase from Salmonella typhimurium 分子名称: 1,2-ETHANEDIOL, Mannose-6-phosphate isomerase 著者 Bangera, M, Murthy, M.R.N. 登録日 2018-05-08 公開日 2019-05-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and functional insights into phosphomannose isomerase: the role of zinc and catalytic residues. Acta Crystallogr D Struct Biol, 75, 2019
4LY0	Crystal structure WlaRD, a sugar 3N-formyl transferase in the presence of dTDP-Glc and 10-N-Formyl-THF 分子名称: 1,2-ETHANEDIOL, 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... 著者 Thoden, J.B, Goneau, M.-F, Gilbert, M, Holden, H.M. 登録日 2013-07-30 公開日 2013-08-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of a sugar N-formyltransferase from Campylobacter jejuni. Biochemistry, 52, 2013
1Y8D	Dimeric parallel-stranded tetraplex with 3+1 5' G-tetrad interface, single-residue chain reversal loops and GAG triad in the context of A(GGGG) pentad 分子名称: 5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*GP*T)-3' 著者 Phan, A.T, Kuryavyi, V.V, Ma, J.-B, Faure, A, Andreola, M.-L, Patel, D.J. 登録日 2004-12-11 公開日 2005-02-01 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 An interlocked dimeric parallel-stranded DNA quadruplex: A potent inhibitor of HIV-1 integrase Proc.Natl.Acad.Sci.USA, 102, 2005
2D55	Structural, physical and biological characteristics of RNA.DNA binding agent N8-actinomycin D 分子名称: ACTINOMYCIN D, DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3') 著者 Shinomiya, M, Chu, W, Carlson, R.G, Weaver, R.F, Takusagawa, F. 登録日 1995-05-01 公開日 1995-10-15 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal Structure of the 2:1 Complex between D(Gaagcttc) and the Anticancer Drug Actinomycin D. J.Mol.Biol., 225, 1992
2GYX	Crystal structure of DB884- D(CGCGAATTCGCG)2 complex at 1.86 A resolution. 分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE 著者 Lee, M.P.H, Neidle, S. 登録日 2006-05-10 公開日 2007-05-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex. J.Am.Chem.Soc., 129, 2007
9FZS	Wild-type EGFR in complex with non-covalent poziotinib analogue 分子名称: 1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor 著者 Anthony, N, Pintar, S, Martin, M.P, Noble, M.E.N. 登録日 2024-07-05 公開日 2025-07-16 実験手法 X-RAY DIFFRACTION (2.121 Å) 主引用文献 Insights into structure-reactivity-activity relationships for covalent inhibitors from profiling the EGFR activity of poziotinib analogues To Be Published
3HQZ	Discovery of novel inhibitors of PDE10A 分子名称: 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2009-06-08 公開日 2009-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009

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