3UUS
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5GN8
| Structure of a 48-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign | 分子名称: | CALCIUM ION, Ferritin heavy chain | 著者 | Zhang, S, Zang, J, Zhao, G, Mikami, B. | 登録日 | 2016-07-19 | 公開日 | 2016-12-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | 主引用文献 | "Silent" Amino Acid Residues at Key Subunit Interfaces Regulate the Geometry of Protein Nanocages ACS Nano, 10, 2016
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3V3K
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3UXK
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5G6S
| Imine reductase from Aspergillus oryzae in complex with NADP(H) and (R)-rasagiline | 分子名称: | IMINE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RASAGILINE | 著者 | Man, H, Aleku, G, Turner, N.J, Grogan, G. | 登録日 | 2016-06-23 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A reductive aminase from Aspergillus oryzae. Nat Chem, 9, 2017
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5G2O
| Yersinia pestis FabV variant T276A | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | 登録日 | 2016-04-11 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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2E01
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5S8C
| XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00322e (space group C2) | 分子名称: | (1-methylbenzotriazol-5-yl)methanol, PH-interacting protein | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | 登録日 | 2020-12-17 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | XChem group deposition To Be Published
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5S8L
| XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (space group C2) | 分子名称: | 1-METHYLQUINOLIN-2(1H)-ONE, PH-interacting protein | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | 登録日 | 2020-12-17 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | XChem group deposition To Be Published
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5S6Y
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z56900771 | 分子名称: | CITRIC ACID, N-[(furan-2-yl)methyl]urea, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2020-11-13 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5CST
| Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine diphosphate at 1.78 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-DIPHOSPHATE, GLYCEROL, ... | 著者 | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2015-07-23 | 公開日 | 2015-08-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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5CSO
| Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleoside, cytidine at 1.78 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, GLYCEROL, ... | 著者 | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2015-07-23 | 公開日 | 2015-08-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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5GJ9
| Crystal structure of Arabidopsis thaliana ACO2 in complex with POA | 分子名称: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRAZINE-2-CARBOXYLIC ACID, ZINC ION | 著者 | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | 登録日 | 2016-06-28 | 公開日 | 2017-05-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase. Nat Commun, 8, 2017
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5S6Z
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with PB2255187532 | 分子名称: | 4-[(dimethylamino)methyl]-1,3-thiazol-2-amine, CITRIC ACID, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2020-11-13 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5S8F
| XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00572d (space group C2) | 分子名称: | PH-interacting protein, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | 登録日 | 2020-12-17 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | XChem group deposition To Be Published
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5S8P
| XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group P212121) | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | 登録日 | 2020-12-17 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | XChem group deposition To Be Published
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4A0K
| STRUCTURE OF DDB1-DDB2-CUL4A-RBX1 BOUND TO A 12 BP ABASIC SITE CONTAINING DNA-DUPLEX | 分子名称: | 12 BP DNA, 12 BP THF CONTAINING DNA, CULLIN-4A, ... | 著者 | Fischer, E.S, Scrima, A, Gut, H, Thoma, N.H. | 登録日 | 2011-09-09 | 公開日 | 2011-12-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (5.93 Å) | 主引用文献 | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation. Cell(Cambridge,Mass.), 147, 2011
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5G6M
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ... | 著者 | Holden, J.K, Poulos, T.L. | 登録日 | 2016-06-18 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
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1Y9A
| Alcohol Dehydrogenase from Entamoeba histolotica in complex with cacodylate | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CACODYLATE ION, ... | 著者 | Shimon, L.J, Peretz, M, Goihberg, E, Burstein, Y, Frolow, F. | 登録日 | 2004-12-15 | 公開日 | 2006-01-17 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure of alcohol dehydrogenase from Entamoeba histolytica. Acta Crystallogr.,Sect.D, 62, 2006
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5E7S
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4A6N
| STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH TIGECYCLINE | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TETX2 PROTEIN, ... | 著者 | Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W. | 登録日 | 2011-11-07 | 公開日 | 2012-11-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx Acta Crystallogr.,Sect.D, 69, 2013
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5CU0
| Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | 分子名称: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | 登録日 | 2015-07-24 | 公開日 | 2016-11-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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5E8O
| The structure of the TEIPP associated altered peptide ligand Trh4-p2ABU in complex with H-2D(b) | 分子名称: | Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... | 著者 | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | 登録日 | 2015-10-14 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer. J Immunol., 196, 2016
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5CZU
| Crystal structure of FeCat-Fn | 分子名称: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | 著者 | Abe, S, Nakajima, H, Kondo, M, Nakane, T, Nakao, T, Ueno, T, Watanabe, Y. | 登録日 | 2015-08-01 | 公開日 | 2015-11-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Construction of an enterobactin analogue with symmetrically arranged monomer subunits of ferritin Chem.Commun.(Camb.), 51, 2015
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5UO4
| Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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