PDB: 55616 件ウェブページステータス検索Chemie searchBIRD

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4DDS	CTX-M-9 class A beta-lactamase complexed with compound 11 分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
5DU6	Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. 分子名称: (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 著者 Cox, J.A.G, Besra, G.S, Futterer, K. 登録日 2015-09-18 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
6OHJ	Crystal Structure of the Debrominase Bmp8 C82A in Complex with 2,3,4-tribromopyrrole 分子名称: 2,3,4-tribromo-1H-pyrrole, Debrominase Bmp8, SULFATE ION 著者 Chekan, J.R, Moore, B.S. 登録日 2019-04-05 公開日 2019-05-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.19 Å) 主引用文献 Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase. Biochemistry, 58, 2019
3LOO	Crystal structure of Anopheles gambiae adenosine kinase in complex with P1,P4-di(adenosine-5) tetraphosphate 分子名称: Anopheles gambiae adenosine kinase, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, ... 著者 Ho, M.-C, Cassera, M.B, Almo, S.C, Schramm, V.L. 登録日 2010-02-04 公開日 2011-02-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A High-Affinity Adenosine Kinase from Anopheles gambiae. Biochemistry, 50, 2011
7CBJ	Crystal structure of PDE4D catalytic domain in complex with compound 36 分子名称: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... 著者 Zhang, X.L, Xu, Y.C. 登録日 2020-06-12 公開日 2021-06-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
4BHI	Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate 分子名称: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... 著者 Tars, K, Leitans, J, Kazaks, A. 登録日 2013-04-03 公開日 2014-03-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
3FMH	P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one 分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-22 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
4HDF	Crystal Structure of HIV-1 protease mutants V82A complexed with inhibitor GRL-0519 分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease 著者 Zhang, H, Wang, Y.-F, Weber, I.T. 登録日 2012-10-02 公開日 2013-08-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
5BMU	The crystal structure of the GST-like domains complex of AIMP3-EPRS mutant C92SC105SC123S 分子名称: Eukaryotic translation elongation factor 1 epsilon-1, Glutamate--tRNA ligase 著者 Cho, H.J, Kang, B.S. 登録日 2015-05-23 公開日 2015-10-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Assembly of Multi-tRNA Synthetase Complex via Heterotetrameric Glutathione Transferase-homology Domains J.Biol.Chem., 290, 2015
6OHI	Crystal Structure of the Debrominase Bmp8 (Apo) 分子名称: Debrominase Bmp8, SULFATE ION 著者 Chekan, J.R, Moore, B.S. 登録日 2019-04-05 公開日 2019-05-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase. Biochemistry, 58, 2019
7D55	Crystal structure of lys170 CBD 分子名称: Putative N-acetylmuramoyl-L-alanine amidase 著者 Zhen, X. 登録日 2020-09-25 公開日 2021-06-09 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.397 Å) 主引用文献 Structural and biochemical analyses of the tetrameric cell binding domain of Lys170 from enterococcal phage F170/08. Eur.Biophys.J., 50, 2021
4LVY	Structure of the THF riboswitch bound to pemetrexed 分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch 著者 Trausch, J.J, Batey, R.T. 登録日 2013-07-26 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
4LVZ	Structure of the THF riboswitch bound to 2,6-diaminopurine 分子名称: 9H-PURINE-2,6-DIAMINE, THF riboswitch 著者 Trausch, J.J, Batey, R.T. 登録日 2013-07-26 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
4HLA	Crystal structure of wild type HIV-1 protease in complex with darunavir 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease 著者 Yedidi, R.S, Garimella, H, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. 登録日 2012-10-16 公開日 2013-07-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
5BS7	Structure of histone H3/H4 in complex with Spt2 分子名称: Histone H3.2, Histone H4, Protein SPT2 homolog, ... 著者 Chen, S, Patel, D.J. 登録日 2015-06-01 公開日 2015-07-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2. Genes Dev., 29, 2015
5IFO	X-ray structure of HSA-Myr-KP1019 分子名称: MYRISTIC ACID, RUTHENIUM ION, Serum albumin 著者 Bijelic, A, Theiner, S, Keppler, B.K, Rompel, A. 登録日 2016-02-26 公開日 2016-06-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 X-ray Structure Analysis of Indazolium trans-[Tetrachlorobis(1H-indazole)ruthenate(III)] (KP1019) Bound to Human Serum Albumin Reveals Two Ruthenium Binding Sites and Provides Insights into the Drug Binding Mechanism. J.Med.Chem., 59, 2016
5YOJ	Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657 分子名称: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL 著者 Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. 登録日 2017-10-29 公開日 2018-07-11 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
4DE0	CTX-M-9 class A beta-lactamase complexed with compound 16 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide 著者 Nichols, D.N, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4E3J	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7999 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
6M4M	X-ray crystal structure of the E249Q mutan of alpha-amylase I and maltohexaose complex from Eisenia fetida 分子名称: Alpha-amylase, CALCIUM ION, CHLORIDE ION, ... 著者 Hirano, Y, Tsukamoto, K, Ariki, S, Naka, Y, Ueda, M, Tamada, T. 登録日 2020-03-07 公開日 2020-09-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 X-ray crystallographic structural studies of alpha-amylase I from Eisenia fetida. Acta Crystallogr D Struct Biol, 76, 2020
2VMT	Crystal structure of Y60AbsSHMT L-Ser external aldimine 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Rajaram, V, Pai, V.R, Bisht, S, Bhavani, B.S, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. 登録日 2008-01-29 公開日 2008-12-16 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structural and Functional Studies of Bacillus Stearothermophilus Serine Hydroxymethyltransferase: The Role of Asn(341), Tyr(60) and Phe(351) in Tetrahydrofolate Binding. Biochem.J., 418, 2009
3RSV	Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide 分子名称: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2011-05-02 公開日 2011-08-31 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1). J.Med.Chem., 54, 2011
5TD8	Crystal structure of an Extended Dwarf Ndc80 Complex 分子名称: Kinetochore protein NDC80, Kinetochore protein NUF2, Kinetochore protein SPC24, ... 著者 Valverde, R, Ingram, J, Harrison, S.C. 登録日 2016-09-17 公開日 2016-11-16 最終更新日 2019-11-20 実験手法 X-RAY DIFFRACTION (7.531 Å) 主引用文献 Conserved Tetramer Junction in the Kinetochore Ndc80 Complex. Cell Rep, 17, 2016
4LW0	Structure of the THF riboswitch bound to adenine 分子名称: ADENINE, THF riboswitch 著者 Trausch, J.J, Batey, R.T. 登録日 2013-07-26 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.889 Å) 主引用文献 A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
3RLE	Crystal Structure of GRASP55 GRASP domain (residues 7-208) 分子名称: Golgi reassembly-stacking protein 2 著者 Truschel, S.T, Sengupta, D, Foote, A, Heroux, A, Macbeth, M.R, Linstedt, A.D. 登録日 2011-04-19 公開日 2011-05-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.649 Å) 主引用文献 Structure of the Membrane-tethering GRASP Domain Reveals a Unique PDZ Ligand Interaction That Mediates Golgi Biogenesis. J.Biol.Chem., 286, 2011

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