PDB: 55921 件ウェブページステータス検索Chemie searchBIRD

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3M0N	Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37A catalytic residue mutant 分子名称: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION 著者 Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) 登録日 2010-03-03 公開日 2010-04-07 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites. to be published
7OQT	G-quadruplex structure of the C. elegans telomeric repeat: A two tetrads basket type conformation stabilised by a Hoogsteen C-T base-pair 分子名称: DNA (5'-D(*GP*GP*CP*TP*TP*AP*GP*GP*CP*TP*TP*AP*GP*GP*CP*TP*TP*AP*GP*G)-3'), POTASSIUM ION 著者 Marquevielle, J, De Rache, A, Amrane, S. 登録日 2021-06-04 公開日 2022-06-22 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 G-quadruplex structure of the C. elegans telomeric repeat: a two tetrads basket type conformation stabilized by a non-canonical C-T base-pair. Nucleic Acids Res., 50, 2022
1RWW	Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid 分子名称: 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID, Interleukin-1 beta convertase 著者 Romanowski, M.J, Fahr, B.T, O'Brien, T. 登録日 2003-12-17 公開日 2004-12-28 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Tethering identifies fragment that yields potent inhibitors of human caspase-1. Bioorg.Med.Chem.Lett., 16, 2006
1RWX	Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid 分子名称: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID, Interleukin-1 beta convertase 著者 Romanowski, M.J, Fahr, B.T, O'Brien, T. 登録日 2003-12-17 公開日 2004-12-28 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Tethering identifies fragment that yields potent inhibitors of human caspase-1. Bioorg.Med.Chem.Lett., 16, 2006
8KI0	Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Heme acquisition protein HasAp, ... 著者 Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O. 登録日 2023-08-22 公開日 2024-03-27 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom. Rsc Adv, 14, 2024
7RE5	Crystal Structure of The Tetramerization Domain (29-147) From Human Voltage-gated Potassium Channel Kv2.1 in P 41 21 2 Space Group 分子名称: Potassium voltage-gated channel subfamily B member 1, ZINC ION 著者 Xu, Z, Schnicker, N, Baker, S. 登録日 2021-07-12 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Pentameric assembly of the Kv2.1 tetramerization domain. Acta Crystallogr D Struct Biol, 78, 2022
5DGU	Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A 分子名称: (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... 著者 Agniswamy, J, Wang, Y.-F, Weber, I.T. 登録日 2015-08-28 公開日 2015-10-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
3LZE	Plasmodium vivax 6-pyruvoyltetrahydropterin synthase (PTPS), E37C catalytic residue mutant 分子名称: PTERINE, Putative 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION 著者 Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) 登録日 2010-03-01 公開日 2010-04-07 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites. to be published
6Y5M	Crystal structure of mouse Autotaxin in complex with compound 1a 分子名称: (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Faller, M, Zink, F. 登録日 2020-02-25 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.011 Å) 主引用文献 Development of autotaxin inhibitors: A series of tetrazole cinnamides. Bioorg.Med.Chem.Lett., 31, 2021
7RYX	S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129 分子名称: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-26 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host. J Fungi, 8, 2022
3EGQ	Crystal structure of a tetr-family transcriptional regulator (af_1817) from archaeoglobus fulgidus at 2.55 A resolution 分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, TetR family Transcriptional regulator 著者 Joint Center for Structural Genomics (JCSG) 登録日 2008-09-11 公開日 2008-10-07 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Crystal structure of TetR-family transcriptional regulator (NP_070644.1) from ARCHAEOGLOBUS FULGIDUS at 2.55 A resolution To be published
5OWL	Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol 分子名称: 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... 著者 Niefind, K, Bretner, M, Chojnacki, C. 登録日 2017-09-01 公開日 2018-07-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
8PP9	Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn 分子名称: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... 著者 Marquez-Monino, M.A, Gonzalez, B. 登録日 2023-07-07 公開日 2024-02-28 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
8PPG	Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction 分子名称: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... 著者 Marquez-Monino, M.A, Gonzalez, B. 登録日 2023-07-07 公開日 2024-02-28 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
8PPJ	Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction 分子名称: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... 著者 Marquez-Monino, M.A, Gonzalez, B. 登録日 2023-07-07 公開日 2024-02-28 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
7ZU0	HOPS tethering complex from yeast 分子名称: E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar morphogenesis protein 6, ... 著者 Shvarev, D, Schoppe, J, Koenig, C, Perz, A, Fuellbrunn, N, Kiontke, S, Langemeyer, L, Januliene, D, Schnelle, K, Kuemmel, D, Froehlich, F, Moeller, A, Ungermann, C. 登録日 2022-05-11 公開日 2022-09-28 最終更新日 2024-07-24 実験手法 ELECTRON MICROSCOPY (4.4 Å) 主引用文献 Structure of the endosomal CORVET tethering complex. Nat Commun, 15, 2024
8JH1	Crystal Structure of the Csm6 Y161A mutant from Thermus thermophilus HB8 in complex with cyclic-tetraadenylate (cA4) 分子名称: CRISPR system endoribonuclease Csm6, RNA (5'-R(P*AP*AP*AP*A)-3') 著者 Lin, Z, Du, L. 登録日 2023-05-22 公開日 2023-12-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Molecular mechanism of allosteric activation of the CRISPR ribonuclease Csm6 by cyclic tetra-adenylate. Embo J., 43, 2024
5OWH	High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol 分子名称: 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha 著者 Niefind, K, Bretner, M, Chojnacki, C. 登録日 2017-09-01 公開日 2018-07-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
7MYC	Structure of proline utilization A with the FAD covalently modified by tetrahydrothiophene 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ... 著者 Tanner, J.J, Campbell, A.C. 登録日 2021-05-20 公開日 2021-09-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles. Acs Chem.Biol., 16, 2021
6A95	Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a 分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 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 Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. 登録日 2018-07-11 公開日 2018-08-08 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Structural basis for the modulation of voltage-gated sodium channels by animal toxins. Science, 362, 2018
3NGL	Crystal structure of bifunctional 5,10-methylenetetrahydrofolate dehydrogenase / cyclohydrolase from Thermoplasma acidophilum 分子名称: Bifunctional protein folD, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Sung, M.W, Lee, W.H, Hwang, K.Y. 登録日 2010-06-12 公開日 2011-04-20 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of bifunctional 5,10-methylenetetrahydrofolate dehydrogenase/cyclohydrolase from Thermoplasma acidophilum Biochem.Biophys.Res.Commun., 406, 2011
3NGX	Crystal structure of bifunctional 5,10-methylenetetrahydrofolate dehydrogenase / cyclohydrolase from Thermoplasma acidophilum 分子名称: Bifunctional protein folD 著者 Hwang, K.W, Sung, M.W, Lee, W.H. 登録日 2010-06-14 公開日 2011-04-20 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of bifunctional 5,10-methylenetetrahydrofolate dehydrogenase/cyclohydrolase from Thermoplasma acidophilum Biochem.Biophys.Res.Commun., 406, 2011
1J6S	Crystal Structure of an RNA Tetraplex (UGAGGU)4 with A-tetrads, G-tetrads, U-tetrads and G-U octads 分子名称: 5'-R(*(BRUP*GP*AP*GP*GP*U)-3', BARIUM ION, SODIUM ION 著者 Pan, B, Xiong, Y, Shi, K, Deng, J, Sundaralingam, M. 登録日 2002-07-10 公開日 2003-08-05 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystal structure of an RNA purine-rich tetraplex containing adenine tetrads: implications for specific binding in RNA tetraplexes Structure, 11, 2003
5CC9	L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate 分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Oyen, D, Wright, P.E. 登録日 2015-07-01 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.199 Å) 主引用文献 Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway. J.Am.Chem.Soc., 137, 2015
6CKT	Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1 分子名称: 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2018-02-28 公開日 2018-03-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1 to be published

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