PDB: 45118 件ウェブページステータス検索Chemie searchBIRD

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6TFP	BTK in complex with LOU064, a potent and highly selective covalent inhibitor 分子名称: SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide 著者 Scheufler, C, Hinniger, A, Gutmann, S. 登録日 2019-11-14 公開日 2020-03-04 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 63, 2020
5Z42	Aquifex aeolicus MutL endonuclease domain with three zinc ions. 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL, ... 著者 Fukui, K, Yano, T. 登録日 2018-01-10 公開日 2018-04-25 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Multiple zinc ions maintain the open conformation of the catalytic site in the DNA mismatch repair endonuclease MutL from Aquifex aeolicus FEBS Lett., 592, 2018
6CAW	Crystal structure of the W95F variant of catalase-peroxidase from B. pseudomallei 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ... 著者 Loewen, P.C. 登録日 2018-02-01 公開日 2018-02-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of the W95F variant of catalase-peroxidase from B. pseudomallei To be published
6CSF	Crystal structure of sodium/alanine symporter AgcS with D-alanine bound 分子名称: D-ALANINE, Monoclonal antibody FAB heavy chain, Monoclonal antibody FAB light chain, ... 著者 Ma, J, Reyes, F.E, Gonen, T. 登録日 2018-03-20 公開日 2019-01-30 最終更新日 2019-02-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural basis for substrate binding and specificity of a sodium-alanine symporter AgcS. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4KLI	DNA polymerase beta matched product complex with Mg2+, 90 s 分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... 著者 Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. 登録日 2013-05-07 公開日 2013-07-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.597 Å) 主引用文献 Observing a DNA polymerase choose right from wrong. Cell(Cambridge,Mass.), 154, 2013
5ZP9	Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 283 K (1) 分子名称: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION 著者 Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. 登録日 2018-04-16 公開日 2018-12-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5FAW	T502A mutant of choline TMA-lyase 分子名称: CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ... 著者 Funk, M.A, Drennan, C.L. 登録日 2015-12-12 公開日 2016-09-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.852 Å) 主引用文献 Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase. Cell Chem Biol, 23, 2016
5DXD	Crystal structure of Putative beta-glucanase (Rv0315 ortholog) from Mycobacterium abscessus 分子名称: Putative beta-glucanase, SODIUM ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2015-09-23 公開日 2015-11-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of Putative beta-glucanase (Rv0315 ortholog) from Mycobacterium abcesus to be published
6RX8	EDDS lyase variant D290M/Y320M with bound fumarate 分子名称: Argininosuccinate lyase, FUMARIC ACID, SODIUM ION 著者 Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H. 登録日 2019-06-07 公開日 2019-10-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners. Angew.Chem.Int.Ed.Engl., 59, 2020
5WQM	Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I) 分子名称: Probable dehydrogenase, SODIUM ION 著者 Li, S, Wang, Y, Bartlam, M. 登録日 2016-11-27 公開日 2018-07-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1. FEBS Lett., 591, 2017
5E56	Crystal structure of mouse CTLA-4 分子名称: Cytotoxic T-lymphocyte protein 4, SODIUM ION 著者 Fedorov, A.A, Fedorov, E.V, SAMANTA, D, Bonanno, J.B, Almo, S.C. 登録日 2015-10-07 公開日 2015-10-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.504 Å) 主引用文献 Crystal structure of mouse CTLA-4 To Be Published
5WDR	Choanoflagellate Salpingoeca rosetta Ras with GMP-PNP 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras protein, ... 著者 Kondo, Y, Gee, C.L, Kuriyan, J. 登録日 2017-07-05 公開日 2017-07-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
6S7X	dARC1 capsid domain dimer, orthorhombic form at 1.7 Angstrom 分子名称: Activity-regulated cytoskeleton associated protein 1, CHLORIDE ION, SODIUM ION 著者 Cottee, M.A, Taylor, I.A. 登録日 2019-07-07 公開日 2020-01-15 最終更新日 2020-01-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure ofDrosophila melanogasterARC1 reveals a repurposed molecule with characteristics of retroviral Gag. Sci Adv, 6, 2020
5WUC	Structural basis for conductance through TRIC cation channels 分子名称: SODIUM ION, Uncharacterized protein 著者 Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS) 登録日 2016-12-17 公開日 2017-07-12 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural basis for conductance through TRIC cation channels. Nat Commun, 8, 2017
6AWU	Structure of PR 10 Allergen Ara h 8.01 in complex with caffeic acid 分子名称: Ara h 8 allergen, CAFFEIC ACID, CHLORIDE ION, ... 著者 Offermann, L.R, McBride, J, Perdue, M, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. 登録日 2017-09-06 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Structure of PR-10 Allergen Ara h 8.01. To Be Published
6TOS	Crystal structure of the Orexin-1 receptor in complex with GSK1059865 分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... 著者 Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. 登録日 2019-12-11 公開日 2020-01-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
6AWV	Ara h 8.01 in complex with epicatechin 分子名称: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, Ara h 8 allergen, BENZOIC ACID, ... 著者 Offermann, L.R, Perdue, M, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. 登録日 2017-09-06 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structure of PR-10 Allergen Ara h 8.01. To Be Published
5VP7	Crystal structure of human KRAS G12A mutant in complex with GDP 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Xu, S, Long, B, Boris, G, Chen, A, Ni, S, Kennedy, M.A. 登録日 2017-05-04 公開日 2017-12-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
6CLY	Structure of human DNA polymerase beta complexed with 8-ClG as the template base in a 1-nucleotide gapped DNA 分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)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'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... 著者 Koag, M.-C, Lee, S. 登録日 2018-03-02 公開日 2019-03-06 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.186 Å) 主引用文献 Structure of human DNA polymerase beta complexed with 8-ClG as the template base in a 1-nucleotide gapped DNA To Be Published
6T3W	Coxsackie B3 2C protein in complex with S-Fluoxetine 分子名称: (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 2C protein, SODIUM ION, ... 著者 El Kazzi, P, Papageorgiou, N, Ferron, F.P, Bauer, L, van Kuppeveld, F, Coutard, B. 登録日 2019-10-11 公開日 2020-11-18 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex. Sci Adv, 8, 2022
6T74	New antiparallel dimer of aureochrome 1a LOV domain mutants from Phaeodactylum tricornutum 分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, MALONATE ION, ... 著者 Essen, L.O, Hepp, S. 登録日 2019-10-21 公開日 2020-03-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 An Optogenetic Tool for Induced Protein Stabilization Based on the Phaeodactylum tricornutum Aureochrome 1a Light-Oxygen-Voltage Domain. J.Mol.Biol., 432, 2020
8AX3	Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride 分子名称: (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Rowland, R.J, Davies, G.J. 登録日 2022-08-30 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
5VS2	Human DNA polymerase beta pre-catalytic 8-oxoG:dA extension complex with dTTP bound in Watson-Crick conformation 分子名称: CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*TP*GP*CP*GP*CP*A)-3'), ... 著者 Reed, A.J, Suo, Z. 登録日 2017-05-11 公開日 2017-07-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc., 139, 2017
6CTJ	Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCH3, beta, gamma dTTP analogue 分子名称: 5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2018-03-23 公開日 2018-06-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs. Biochemistry, 57, 2018
5EOU	Pseudomonas aeruginosa PilM:PilN1-12 bound to ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... 著者 McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L, Howell, L.P. 登録日 2015-11-10 公開日 2016-04-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM. J.Biol.Chem., 291, 2016

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