PDB: 47720 件ウェブページステータス検索Chemie searchBIRD

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5QI3	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000475a 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... 著者 Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. 登録日 2018-05-21 公開日 2019-04-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
2Y6N	STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 8.8 MONOACYLGLYCEROL LIPID CUBIC PHASE. 分子名称: O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A 著者 Hoefer, N, Aragao, D, Caffrey, M. 登録日 2011-01-25 公開日 2011-05-11 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide Cryst.Growth Des., 11, 2011
5QI5	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000633a 分子名称: 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. 登録日 2018-05-21 公開日 2019-04-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5U6Y	Pseudo-atomic model of the CaMKIIa holoenzyme. 分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha 著者 Myers, J, Reichow, S.L. 登録日 2016-12-09 公開日 2017-06-21 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (20 Å) 主引用文献 The CaMKII holoenzyme structure in activation-competent conformations. Nat Commun, 8, 2017
5TV8	A. aeolicus BioW with AMP-CPP and pimelate 分子名称: 6-carboxyhexanoate--CoA ligase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... 著者 Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. 登録日 2016-11-08 公開日 2016-12-07 最終更新日 2017-05-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes. Nat. Chem. Biol., 13, 2017
2YFJ	Crystal structure of Biphenyl dioxygenase variant RR41 with dibenzofuran 分子名称: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, DIBENZOFURAN, ... 著者 Kumar, P, Sylvestre, M, Bolin, J.T. 登録日 2011-04-06 公開日 2011-06-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Retuning Rieske-Type Oxygenases to Expand Substrate Range. J.Biol.Chem., 286, 2011
4GAZ	Crystal Structure of a Jumonji Domain-containing Protein JMJD5 分子名称: Lysine-specific demethylase 8, N-OXALYLGLYCINE, NICKEL (II) ION 著者 Wang, H, Zhou, X, Zhang, X, Tao, Y, Chen, N, Zang, J. 登録日 2012-07-26 公開日 2013-08-14 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Crystal Structure of a Jumonji Domain-containing Protein JMJD5 To be Published
5QHX	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000278a 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... 著者 Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. 登録日 2018-05-21 公開日 2019-04-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
3BG7	Pyranose 2-oxidase from Trametes multicolor, L537G mutant 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase 著者 Norberg, P, Tan, T.C, Divne, C. 登録日 2007-11-26 公開日 2008-12-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Improving thermostability and catalytic activity of pyranose 2-oxidase from Trametes multicolor by rational and semi-rational design Febs J., 276, 2009
5QI1	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... 著者 Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. 登録日 2018-05-21 公開日 2019-04-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5UEC	Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. 分子名称: (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B, Halpert, J.R. 登録日 2016-12-30 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
5CEH	Structure of histone lysine demethylase KDM5A in complex with selective inhibitor 分子名称: 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, NICKEL (II) ION, ... 著者 Kiefer, J.R, Vinogradova, M. 登録日 2015-07-06 公開日 2016-05-18 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (3.14 Å) 主引用文献 An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells. Nat.Chem.Biol., 12, 2016
5U45	Human PPARdelta ligand-binding domain in complexed with specific agonist 14 分子名称: 6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... 著者 Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. 登録日 2016-12-03 公開日 2017-03-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2XSE	The structural basis for recognition of J-base containing DNA by a novel DNA-binding domain in JBP1 分子名称: GLYCEROL, NITRATE ION, THYMINE DIOXYGENASE JBP1 著者 Heidebrecht, T, Christodoulou, E, Chalmers, M.J, Jan, S, ter Riete, B, Grover, R.K, Joosten, R.P, Littler, D, vanLuenen, H, Griffin, P.R, Wentworth, P, Borst, P, Perrakis, A. 登録日 2010-09-28 公開日 2011-03-30 最終更新日 2011-08-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Structural Basis for Recognition of Base J Containing DNA by a Novel DNA Binding Domain in Jbp1. Nucleic Acids Res., 39, 2011
5UAP	Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide 分子名称: (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B, Halpert, J.R. 登録日 2016-12-19 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
5CKU	Structure of Aspergillus fumigatus ornithine hydroxylase (SidA) mutant N323A bound to NADP and ornithine 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-ornithine, ... 著者 Tanner, J.J, Qureshi, I.A. 登録日 2015-07-15 公開日 2015-09-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Contribution to catalysis of ornithine binding residues in ornithine N5-monooxygenase. Arch.Biochem.Biophys., 585, 2015
5O8V	Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C 分子名称: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide 著者 Buehrmann, M, Rauh, D. 登録日 2017-06-14 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants. Angew. Chem. Int. Ed. Engl., 56, 2017
5UDA	Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane 分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ... 著者 Shah, M.B, Halpert, J.R. 登録日 2016-12-24 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
5CJU	Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate n-butyryl-coenzyme A 分子名称: 5'-DEOXYADENOSINE, Butyryl Coenzyme A, COBALAMIN, ... 著者 Jost, M, Drennan, C.L. 登録日 2015-07-15 公開日 2015-09-09 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases. J.Biol.Chem., 290, 2015
4J9A	Engineered Digoxigenin binder DIG10.3 分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3 著者 Stoddard, B.L, Doyle, L.A. 登録日 2013-02-15 公開日 2013-06-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
5UGS	Crystal structure of M. tuberculosis InhA inhibited by PT501 分子名称: 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... 著者 Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. 登録日 2017-01-10 公開日 2017-02-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
4YH0	Crystal structure of the R111K:Y134F:T54V:R132Q:P39Y:R59Y mutant of human Cellular Retinoic Acid Binding Protein II in complex with Retinal at 2.14 angstrom resolution - UV irradiated crystal - 3rd cycle 分子名称: Cellular retinoic acid-binding protein 2, RETINAL 著者 Nosrati, M, Geiger, J.H. 登録日 2015-02-26 公開日 2016-03-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.144 Å) 主引用文献 A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution. J.Am.Chem.Soc., 138, 2016
2WPD	The Mg.ADP inhibited state of the yeast F1c10 ATP synthase 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE SUBUNIT 9, ... 著者 Dautant, A, Velours, J, Giraud, M.-F. 登録日 2009-08-05 公開日 2010-07-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.432 Å) 主引用文献 Crystal Structure of the Mg.Adp-Inhibited State of the Yeast F1C10-ATP Synthase. J.Biol.Chem., 285, 2010
5QHT	PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000065a 分子名称: 2-methoxy-4-morpholin-4-yl-aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. 登録日 2018-05-21 公開日 2019-04-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QI8	PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000605a 分子名称: 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. 登録日 2018-05-21 公開日 2019-04-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 PanDDA analysis group deposition To Be Published

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