5O8R
 
 | | The crystal structure of DfoA bound to FAD and NADP; the desferrioxamine biosynthetic pathway cadaverine monooxygenase from the fire blight disease pathogen Erwinia amylovora | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, L-lysine 6-monooxygenase involved in desferrioxamine biosynthesis, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Salomone-Stagni, M, Bartho, J.D, Polsinelli, I, Bellini, D, Walsh, M.A, Demitri, N, Benini, S. | | 登録日 | 2017-06-14 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A complete structural characterization of the desferrioxamine E biosynthetic pathway from the fire blight pathogen Erwinia amylovora.
J. Struct. Biol., 202, 2018
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5A5J
 | | Cytochrome 2C9 P450 inhibitor complex | | 分子名称: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Skerratt, S.E, de Groot, M.J, Phillips, C. | | 登録日 | 2015-06-18 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar.
To be Published
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5AB7
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4UE1
 | | Structure of the stapled peptide YS-01 bound to MDM2 | | 分子名称: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | | 著者 | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | | 登録日 | 2014-12-14 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
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5O24
 | | Lytic transglycosylase in action | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Transglycosylase | | 著者 | Williams, A.H, Hoauz, A, Boneca, I.G. | | 登録日 | 2017-05-19 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.429 Å) | | 主引用文献 | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase.
J. Biol. Chem., 293, 2018
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4UQ2
 | | Crystal structure of HLA-A1101 in complex with an azobenzene- containing peptide | | 分子名称: | AZOBENZENE-CONTAINING PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | 著者 | Thong, S.Y, Yap, J.W, Lim, P.Y, Verhelst, S.H, Lescar, J, Meijers, R, Grotenbreg, G.M. | | 登録日 | 2014-06-19 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Bioorthogonal Cleavage and Exchange of Major Histocompatibility Complex Ligands by Employing Azobenzene-Containing Peptides.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5AD4
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2015-08-20 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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5O96
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5AGO
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid | | 分子名称: | (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2015-02-02 | | 公開日 | 2015-04-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
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5O3O
 | | Pronase-treated paired helical filament in Alzheimer's disease brain | | 分子名称: | Microtubule-associated protein tau | | 著者 | Fitzpatrick, A.W.P, Falcon, B, He, S, Murzin, A.G, Murshudov, G, Garringer, H.G, Crowther, R.A, Ghetti, B, Goedert, M, Scheres, S.H.W. | | 登録日 | 2017-05-24 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structures of tau filaments from Alzheimer's disease.
Nature, 547, 2017
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5O3W
 | | Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin A1 | | 分子名称: | MAGNESIUM ION, Peptide cyclase 1, Presegetalin A1, ... | | 著者 | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | | 登録日 | 2017-05-25 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates.
ACS Chem. Biol., 13, 2018
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5O4Q
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4UEC
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5OAI
 | | Structure of MDM2 with low molecular weight inhibitor | | 分子名称: | 3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Twarda-Clapa, A, Neochoritis, C.G, Grudnik, P, Dubin, G, Domling, A, Holak, T.A. | | 登録日 | 2017-06-22 | | 公開日 | 2019-02-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A fluorinated indole-based MDM2 antagonist selectively inhibits the growth of p53wtosteosarcoma cells.
Febs J., 286, 2019
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5O84
 | | Glutathione S-transferase Tau 23 (partially oxidized) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | | 著者 | Young, D.R, Van Molle, I, Tossounian, M, Messens, J. | | 登録日 | 2017-06-12 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage.
Biochim. Biophys. Acta, 1862, 2018
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5O89
 | | Crystal Structure of rsEGFP2 in the fluorescent on-state determined by SFX | | 分子名称: | Green fluorescent protein | | 著者 | Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | | 登録日 | 2017-06-12 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
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5OAN
 | | Crystal structure of mutant AChBP in complex with glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCINE, ... | | 著者 | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | 登録日 | 2017-06-23 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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5O8C
 | | Composite structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state. | | 分子名称: | Green fluorescent protein | | 著者 | Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | | 登録日 | 2017-06-12 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
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5O8M
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5OAX
 | | Galectin-3c in complex with thiogalactoside derivate | | 分子名称: | 5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3 | | 著者 | Nilsson, U.J, Peterson, K, Hakansson, M, Logan, D.T. | | 登録日 | 2017-06-25 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
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5O8Y
 | | Conformational dynamism for DNA interaction in Salmonella typhimurium RcsB response regulator. | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, SULFATE ION, Transcriptional regulatory protein RcsB | | 著者 | Casino, P, Marina, A, Miguel-Romero, L, Huesa, J. | | 登録日 | 2017-06-14 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator.
Nucleic Acids Res., 46, 2018
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5O9H
 | | Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 | | 分子名称: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, C5a anaphylatoxin chemotactic receptor 1, CITRIC ACID, ... | | 著者 | Robertson, N, Rappas, M, Dore, A.S, Brown, J, Bottegoni, G, Koglin, M, Cansfield, J, Jazayeri, A, Cooke, R.M, Marshall, F.H. | | 登録日 | 2017-06-19 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Nature, 553, 2018
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4UG2
 | | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR | | 著者 | Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. | | 登録日 | 2015-03-21 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor.
Mol.Pharmacol., 87, 2015
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5OCF
 | | Crystal structure of nitric oxide bound to three-domain heme-Cu nitrite reductase from Ralstonia pickettii | | 分子名称: | COPPER (II) ION, HEME C, NITRIC OXIDE, ... | | 著者 | Dong, J, Sasaki, D, Eady, R, Antonyuk, S.V, Hasnain, S.S. | | 登録日 | 2017-06-30 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Activation of redox tyrosine switch is required for ligand binding at the catalytic site in heme-cu nitrite reductases
To be published
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5AC7
 | | S. enterica HisA with mutations D7N, D10G, dup13-15 | | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... | | 著者 | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | 登録日 | 2015-08-12 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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