PDB: 68717 件ウェブページステータス検索Chemie searchBIRD

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3G28	Crystal structure of the C-terminal domain of the Rous Sarcoma Virus capsid protein: mutant D179N, low pH 分子名称: GLYCEROL, Gag polyprotein, NITRATE ION 著者 Kingston, R.L. 登録日 2009-01-30 公開日 2009-06-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Proton-linked dimerization of a retroviral capsid protein initiates capsid assembly Structure, 17, 2009
7CM8	High resolution crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae 分子名称: Cysteine synthase, GLYCEROL, SODIUM ION 著者 Kaushik, A, Rahisuddin, R, Saini, N, Kumaran, S. 登録日 2020-07-25 公開日 2020-08-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase. J.Biol.Chem., 296, 2020
7C7N	Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative 分子名称: 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B 著者 Mima, M, Ushiyama, F. 登録日 2020-05-26 公開日 2020-10-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors. Bioorg.Med.Chem., 28, 2020
7CI4	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... 著者 Mima, M, Baker, L.M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
4KNM	Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide 分子名称: 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 13, TRIETHYLENE GLYCOL, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
7C2W	Crystal Structure of IRAK4 kinase in complex with a small molecule inhibitor 分子名称: Interleukin-1 receptor-associated kinase 4, N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide 著者 Krishnamurthy, N.R, Anirudha, L. 登録日 2020-05-09 公開日 2020-11-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. Acs Med.Chem.Lett., 11, 2020
7E8L	The structure of Spodoptera litura chemosensory protein 分子名称: Putative chemosensory protein CSP8 著者 Xie, W, Jia, Q, Zeng, H, Xiao, N, Tang, J, Gao, S, Zhang, J. 登録日 2021-03-02 公開日 2022-03-02 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The Crystal Structure of the Spodoptera litura Chemosensory Protein CSP8. Insects, 12, 2021
7EI2	Structure of human NNMT in complex with macrocyclic peptide 8 分子名称: Nicotinamide N-methyltransferase, macrocyclic peptide 8 著者 Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. 登録日 2021-03-30 公開日 2022-03-30 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell. Acs Med.Chem.Lett., 12, 2021
7DVK	PyrI4 in complex with intermolecular Diels-Alder product 分子名称: GLYCEROL, Spiro-conjugate synthase, methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate 著者 Kashyap, R, Addlagatta, A. 登録日 2021-01-13 公開日 2021-08-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Exo-selective intermolecular Diels-Alder reaction by PyrI4 and AbnU on non-natural substrates. Commun Chem, 2021
7CI9	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... 著者 Mima, M, Baker, L.M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
7CI5	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... 著者 Mima, M, Baker, L.M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
4M62	Ontogeny of recognition specificity and functionality for the anti-HIV neutralizing antibody 4E10 分子名称: GEP2 FV heavy chain, GEP2 FV light chain, SULFATE ION, ... 著者 Finton, K.A.K. 登録日 2013-08-08 公開日 2014-10-08 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10. Plos Pathog., 10, 2014
4PTK	Crystal structure of Staphylococcal IMPase-I complex with 3Mg2+ and Phosphate 分子名称: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... 著者 Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. 登録日 2014-03-11 公開日 2014-10-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.503 Å) 主引用文献 Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase. Febs J., 281, 2014
9J1N	Mouse Spi-B Ets domain in complex with DNA containing AGAA sequence 分子名称: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, DNA (5'-D(*(3D1)P*TP*GP*AP*AP*AP*AP*GP*AP*GP*AP*AP*TP*TP*GP*G)-3'), DNA (5'-D(*(THM)P*CP*CP*AP*AP*TP*TP*CP*TP*CP*TP*TP*TP*TP*CP*A)-3'), ... 著者 Nonaka, Y, Kamitori, S. 登録日 2024-08-05 公開日 2025-06-18 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structural analysis of Spi-B DNA-binding Ets domain recognizing 5'-AGAA-3' and 5'-GGAA-3' sequences. Biochem.Biophys.Res.Commun., 749, 2025
3GRY	Crystal Structure of the complex between S-Adenosyl Methionine and Methanocaldococcus jannaschi Dim1. 分子名称: Dimethyladenosine transferase, PHOSPHATE ION, S-ADENOSYLMETHIONINE 著者 Scarsdale, J.N, Musayev, F.N, Rife, J.P. 登録日 2009-03-26 公開日 2010-03-31 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design. Biochemistry, 49, 2010
4LYW	Crystal Structure of BRD4(1) bound to inhibitor XD14 分子名称: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 著者 Wohlwend, D, Gerhardt, S, Einsle, O. 登録日 2013-07-31 公開日 2014-01-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
4LZR	Crystal Structure of BRD4(1) bound to Colchicine 分子名称: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide 著者 Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M. 登録日 2013-08-01 公開日 2014-01-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
4M2Y	Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA 分子名称: DNA polymerase beta, SODIUM ION, down-primer, ... 著者 Koag, M.C, Min, K, Monzingo, A.F, Lee, S. 登録日 2013-08-05 公開日 2014-01-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
9N58	Structure of the PTP-like myo-inositol phosphatase from Solidesulfovibrio magneticus in complex with myo-inositol hexakisphosphate 分子名称: INOSITOL HEXAKISPHOSPHATE, Tyrosine specific protein phosphatases domain-containing protein 著者 Cleland, C.P, Mosimann, S.C. 登録日 2025-02-03 公開日 2025-02-12 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Novel Structure of PhyA from Solidesulfovibrio magneticus indicates the phosphate-binding loop influences InsP6 binding modes and substrate specificity To Be Published
4QAX	Crystal structure of post-catalytic binary complex of Phosphoglycerate mutase from Staphylococcus aureus 分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION 著者 Roychowdhury, A, Kundu, A, Bose, M, Gujar, A, Das, A.K. 登録日 2014-05-06 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 STRUCTURAL AND FUNCCTIONAL ANALYSIS of PHOSPHOGLYCERATE MUTASE from STAPHYLOCOCCUS AUREUS To be Published
3KWI	X-ray structure of NS1 effector domain W187Y mutant 分子名称: Non-structural protein 1 著者 Xia, S, Robertus, J.D. 登録日 2009-12-01 公開日 2010-02-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 X-ray structures of NS1 effector domain mutants. Arch.Biochem.Biophys., 494, 2010
1VA4	Pseudomonas fluorescens aryl esterase 分子名称: Arylesterase, GLYCEROL 著者 Cheeseman, J.D, Tocilj, A, Park, S, Schrag, J.D, Kazlauskas, R.J. 登録日 2004-02-11 公開日 2004-07-06 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.804 Å) 主引用文献 Structure of an aryl esterase from Pseudomonas fluorescens. Acta Crystallogr.,Sect.D, 60, 2004
4ESI	Structure of ricin A chain bound with N-((1H-1,2,3-triazol-4-yl)methyl-2-amino-4-oxo-3,4-dihydropteridine-7-carboxamide 分子名称: 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide, Ricin 著者 Jasheway, K.R, Pruet, J.M, Ryoto, S, Manzano, L.A, Wiget, P.A, Kamat, I, Anslyn, E.V, Monzingo, A.F, Robertus, J.D. 登録日 2012-04-23 公開日 2012-10-31 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A. ACS Med Chem Lett, 3, 2012
2QMP	Crystal Structure of HIV-1 protease complexed with PL-100 分子名称: N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Pol polyprotein 著者 Allison, T.J. 登録日 2007-07-16 公開日 2008-07-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of HIV-1 protease complexed with PL-100 To be Published
3I11	Cobalt-substituted metallo-beta-lactamase from Bacillus cereus 分子名称: Beta-lactamase 2, COBALT (II) ION 著者 Gonzalez, J.M, Buschiazzo, A, Vila, A.J. 登録日 2009-06-25 公開日 2009-12-29 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Evidence of adaptability in metal coordination geometry and active-site loop conformation among B1 metallo-beta-lactamases . Biochemistry, 49, 2010

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