5AQJ
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9H-purine-6,8-diamine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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8OSW
| Crystal structure of Rhizobium etli L-asparaginase ReAIV (R4mC-1) | 分子名称: | CHLORIDE ION, Putative L-asparaginase II protein, ZINC ION | 著者 | Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imiolczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M. | 登録日 | 2023-04-20 | 公開日 | 2023-08-09 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center. Acta Crystallogr D Struct Biol, 79, 2023
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8ONN
| Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid | 分子名称: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV | 著者 | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | 登録日 | 2023-04-03 | 公開日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity. Biochem.J., 480, 2023
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6BR0
| Solution NMR structure for CcoTx-I | 分子名称: | Beta-theraphotoxin-Cm1a | 著者 | Agwa, A.J, Schroeder, C.I. | 登録日 | 2017-11-29 | 公開日 | 2018-05-16 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Gating modifier toxins isolated from spider venom: Modulation of voltage-gated sodium channels and the role of lipid membranes. J. Biol. Chem., 293, 2018
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8ORI
| Crystal structure of Rhizobium etli L-asparaginase ReAIV (orthorhombic) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imiolczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M. | 登録日 | 2023-04-14 | 公開日 | 2023-08-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center. Acta Crystallogr D Struct Biol, 79, 2023
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8P8J
| Structure of 5D3-Fab and nanobody(Nb96)-bound ABCG2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | 著者 | Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P. | 登録日 | 2023-06-01 | 公開日 | 2023-08-30 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies. J.Mol.Biol., 435, 2023
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5L6T
| CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | 登録日 | 2016-05-31 | 公開日 | 2017-06-21 | 最終更新日 | 2024-10-02 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER To Be Published
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5L70
| CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | 登録日 | 2016-06-01 | 公開日 | 2017-06-21 | 最終更新日 | 2024-10-02 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER To Be Published
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4ZHP
| The crystal structure of Potato ferredoxin I with 2Fe-2S cluster | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, Potato Ferredoxin I | 著者 | Grinter, R, Josts, I, Roszak, A.W, Cogdell, R.J, Walker, D. | 登録日 | 2015-04-26 | 公開日 | 2016-08-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structure of the bacterial plant-ferredoxin receptor FusA. Nat Commun, 7, 2016
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7SEA
| Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | 分子名称: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | 登録日 | 2021-09-30 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEC
| Crystal structure of human Fibrillarin in complex with compound 1a | 分子名称: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | 登録日 | 2021-09-30 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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1THZ
| Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening | 分子名称: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, Bifunctional purine biosynthesis protein PURH, POTASSIUM ION | 著者 | Xu, L, Li, C, Olson, A.J, Wilson, I.A. | 登録日 | 2004-06-01 | 公開日 | 2004-09-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening. J.Biol.Chem., 279, 2004
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7SE8
| Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak | 分子名称: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | 登録日 | 2021-09-30 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7VFK
| Crystal structure of SdgB (ligand-free form) | 分子名称: | GLYCEROL, Glycosyl transferase, group 1 family protein, ... | 著者 | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | 登録日 | 2021-09-13 | 公開日 | 2021-11-24 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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7SE9
| Crystal structure of human Fibrillarin in complex with compound 1 from single soak | 分子名称: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | 登録日 | 2021-09-30 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7VFL
| Crystal structure of SdgB (UDP, NAG, and O-glycosylated SD peptide-binding form) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, group 1 family protein, ... | 著者 | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | 登録日 | 2021-09-13 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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6HX1
| IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2 | 分子名称: | 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Augustin, M.A, Krapp, S, Bayliss, R, Collins, I. | 登録日 | 2018-10-15 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
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7VFO
| Crystal structure of SdgB (Phosphate-binding form) | 分子名称: | Glycosyl transferase, group 1 family protein, PHOSPHATE ION | 著者 | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | 登録日 | 2021-09-13 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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5LIQ
| The structure of C160S,C508S,C578S mutant of Nt.BspD6I nicking endonuclease at 0.185 nm resolution . | 分子名称: | GLYCEROL, Nicking endonuclease N.BspD6I, PHOSPHATE ION | 著者 | Kachalova, G.S, Artyukh, R.I, Perevyazova, T.A, Yunusova, A.K, Popov, A.N, Bartunik, H.D, Zheleznaya, L.A. | 登録日 | 2016-07-15 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural features of Cysteine residues mutation of the nicking endonuclease Nt.BspD6I. To Be Published
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5LJC
| Crystal structure of holo human CRBP1 | 分子名称: | RETINOL, Retinol-binding protein 1, SODIUM ION | 著者 | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | 登録日 | 2016-07-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.433 Å) | 主引用文献 | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5LJH
| Crystal structure of human apo CRBP1/K40L mutant | 分子名称: | Retinol-binding protein 1, SODIUM ION | 著者 | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | 登録日 | 2016-07-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5LI0
| 70S ribosome from Staphylococcus aureus | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Khusainov, I, Vicens, Q, Bochler, A, Grosse, F, Myasnikov, A, Menetret, J.F, Chicher, J, Marzi, S, Romby, P, Yusupova, G, Yusupov, M, Hashem, Y. | 登録日 | 2016-07-13 | 公開日 | 2016-12-28 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure of the 70S ribosome from human pathogen Staphylococcus aureus. Nucleic Acids Res., 44, 2016
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6H9C
| Cryo-EM structure of archaeal extremophilic internal membrane-containing Haloarcula californiae icosahedral virus 1 (HCIV-1) at 3.74 Angstroms resolution. | 分子名称: | (Half) GPS-II protein located underneath the two-tower capsomer sitting ON the icosahedral 2-fold axis., GPS-II protein located underneath the two-tower capsomer NOT sitting on the icosahedral 2-fold axis., GPS-III molecule located underneath the capsomer close to the icosahedral three-fold axis., ... | 著者 | Abrescia, N.G, Santos-Perez, I, Charro, D. | 登録日 | 2018-08-03 | 公開日 | 2019-03-27 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | 主引用文献 | Structural basis for assembly of vertical single beta-barrel viruses. Nat Commun, 10, 2019
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4NZU
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2F81
| HIV-1 Protease mutant L90M complexed with inhibitor TMC114 | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | 著者 | Kovalevsky, A.Y, Weber, I.T. | 登録日 | 2005-12-01 | 公開日 | 2006-03-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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