6NNQ
 
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6Q4G
 | | CDK2 in complex with FragLite37 | | 分子名称: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | | 登録日 | 2018-12-05 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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7UZ2
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-fluoro-valienide. | | 分子名称: | (1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Beta-galactosidase | | 著者 | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | | 登録日 | 2022-05-08 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7OM5
 | | Anti-EGFR nanobody EgB4 | | 分子名称: | GLYCEROL, Nanobody EgB4, ZINC ION | | 著者 | Zeronian, M.R, Janssen, B.J.C. | | 登録日 | 2021-05-21 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structural insights into the non-inhibitory mechanism of the anti-EGFR EgB4 nanobody.
Bmc Mol Cell Biol, 23, 2022
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6UDM
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7ON4
 | | SaFtsZ complexed with GDP (co-crystalization with 1mM EDTA) | | 分子名称: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | 登録日 | 2021-05-25 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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6QAG
 | | ERK2 mini-fragment binding | | 分子名称: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6NO8
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7T63
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6Q4O
 | | Fusidic acid bound AcrB_I27A | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, DARPIN, DECANE, ... | | 著者 | Tam, H.K, Pos, K.M. | | 登録日 | 2018-12-06 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
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6C7J
 | | Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | 分子名称: | 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Xu, R, Aertgeerts, K. | | 登録日 | 2018-01-22 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
J. Med. Chem., 61, 2018
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8CJ7
 | | HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor | | 分子名称: | 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ... | | 著者 | Sandmark, J, Ek, M, Ripa, L. | | 登録日 | 2023-02-12 | | 公開日 | 2023-10-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
J.Med.Chem., 66, 2023
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6QAT
 | | Crystal structure of ULK2 in complexed with hesperadin | | 分子名称: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2 | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-19 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
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6NOK
 | | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution | | 分子名称: | Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION | | 著者 | Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O. | | 登録日 | 2019-01-16 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
To Be Published
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7UI8
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7OY6
 | | Crystal structure of human DYRK1A in complex with ARN25068 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | 著者 | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | | 登録日 | 2021-06-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
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7T1G
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595 | | 分子名称: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine, Pantothenate kinase CAB1 | | 著者 | Gihaz, S, Ben Mamoun, C. | | 登録日 | 2021-12-01 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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4ZFL
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7SVQ
 | | Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea in complex with NAD+ | | 分子名称: | L-galactose dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | | 登録日 | 2021-11-19 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis.
Plant Cell.Physiol., 63, 2022
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6UFO
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6NPS
 | | Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus | | 分子名称: | AxyAgu115A, CHLORIDE ION, GLYCEROL | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A. | | 登録日 | 2019-01-18 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases.
N Biotechnol, 2021
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4ZH7
 | | Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA | | 分子名称: | Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | | 著者 | Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | | 登録日 | 2015-04-24 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
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6C85
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7OMQ
 | | SaFtsZ complexed with GDPPCP and Mn2+ | | 分子名称: | 1,2-ETHANEDIOL, Cell division protein FtsZ, MANGANESE (II) ION, ... | | 著者 | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | 登録日 | 2021-05-24 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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6Q5K
 | | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24K | | 分子名称: | AMMONIUM ION, CC-Hex*-L24K, GLYCEROL, ... | | 著者 | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | | 登録日 | 2018-12-09 | | 公開日 | 2019-05-22 | | 最終更新日 | 2019-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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