6GJA
 
 | | PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-05-16 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
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7G0V
 | | Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(ccc1)C(F)(F)F with IC50=1.26466 microM | | 分子名称: | (1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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1KIY
 | | D100E trichodiene synthase | | 分子名称: | 1,2-ETHANEDIOL, trichodiene synthase | | 著者 | Rynkiewicz, M.J, Cane, D.E, Christianson, D.W. | | 登録日 | 2001-12-03 | | 公開日 | 2002-03-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | X-ray crystal structures of D100E trichodiene synthase and its pyrophosphate complex reveal the basis for terpene product diversity.
Biochemistry, 41, 2002
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5V08
 | | Crystal structure of human exonuclease 1 Exo1 (D173A) in complex with 5' recessed-end DNA (rVI) | | 分子名称: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | | 著者 | Shi, Y, Beese, L.S. | | 登録日 | 2017-02-28 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.812 Å) | | 主引用文献 | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7G0U
 | | Crystal Structure of human FABP4 in complex with 5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-morpholin-4-ylpyrimidin-2-one, i.e. SMILES N1=C(C(=C(N(C1=O)C)O)Cc1cc(Cl)ccc1)N1CCOCC1 with IC50=1.5 microM | | 分子名称: | 5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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7ULE
 | | F420-1/GDP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus | | 分子名称: | (2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Bashiri, G, Squire, C.J. | | 登録日 | 2022-04-04 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Poly-gamma-glutamylation of biomolecules.
Nat Commun, 15, 2024
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5D5U
 | | Crystal structure of human Hsf1 with HSE DNA | | 分子名称: | Heat shock Element DNA, Heat shock factor protein 1 | | 著者 | Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A. | | 登録日 | 2015-08-11 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
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5YQ3
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6M5A
 | | Crystal structure of GH121 beta-L-arabinobiosidase HypBA2 from Bifidobacterium longum | | 分子名称: | 1,2-ETHANEDIOL, Beta-L-arabinobiosidase, CALCIUM ION, ... | | 著者 | Saito, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | 登録日 | 2020-03-10 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of beta-L-arabinobiosidase belonging to glycoside hydrolase family 121.
Plos One, 15, 2020
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6BOV
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6BZC
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7FYF
 | | Crystal Structure of human FABP4 in complex with 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine, i.e. SMILES c1(ccc(cc1)F)c1c(c(N2CCCCC2)nc2c1COCC2)C1=NN=NN1 with IC50=0.42193 microM | | 分子名称: | (3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine, 1,2-ETHANEDIOL, FORMIC ACID, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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5V6S
 | | Crystal structure of small molecule acrylamide 1 covalently bound to K-Ras G12C | | 分子名称: | 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | McGregor, L.M, Jenkins, M, Kerwin, C, Burke, J.E, Shokat, K.M. | | 登録日 | 2017-03-17 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Expanding the Scope of Electrophiles Capable of Targeting K-Ras Oncogenes.
Biochemistry, 56, 2017
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5UKF
 | | Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor | | 分子名称: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-01-22 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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8TP6
 | | H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting Fab 4-1-1E02 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 4-1-1E02 Fab, ... | | 著者 | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | | 登録日 | 2023-08-04 | | 公開日 | 2023-10-11 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Cell Rep, 43, 2024
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3PKQ
 | | Q83D Variant of S. Enterica RmlA with dGTP | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ... | | 著者 | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2010-11-11 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
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4I7F
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6QO4
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 3 (2-(5-Isoxazolyl) phenol) | | 分子名称: | 2-(1,2-oxazol-5-yl)phenol, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | 登録日 | 2019-02-12 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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4KWN
 | | A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from Momordica balsamina at 1.80 A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, rRNA N-glycosidase | | 著者 | Yamini, S, Pandey, S, Singh, A, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2013-05-24 | | 公開日 | 2013-06-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from Momordica balsamina at 1.80 A resolution
To be Published
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7E4L
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6BPF
 | | CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | 著者 | Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S. | | 登録日 | 2017-11-23 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.318 Å) | | 主引用文献 | Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
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6BNJ
 | | Human hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | | 分子名称: | (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | 著者 | Keough, D.T, Rejman, D, Guddat, L.W. | | 登録日 | 2017-11-16 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | | 主引用文献 | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 13, 2018
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6FT3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | 分子名称: | 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 | | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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6FT8
 | | Crystal structure of CLK1 in complex with inhibitor 8g | | 分子名称: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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3MAL
 | | Crystal structure of the SDF2-like protein from Arabidopsis thaliana | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Stromal cell-derived factor 2-like protein | | 著者 | Ravaud, S, Radzimanowski, J, Sinning, I. | | 登録日 | 2010-03-24 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Arabidopsis stromal-derived Factor2 (SDF2) is a crucial target of the unfolded protein response in the endoplasmic reticulum.
J.Biol.Chem., 285, 2010
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