7B21
 
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4XIW
 | | Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with acetazolamide | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, alpha type, ... | | 著者 | Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E. | | 登録日 | 2015-01-07 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
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7SZD
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7WWK
 | | Local refinement of the SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab | | 分子名称: | 55A8 light chain, Spike glycoprotein | | 著者 | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | 登録日 | 2022-02-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Local refinement of the SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab
To Be Published
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7T5I
 | | Crystal Structure of Strictosidine Synthase in complex with R-IPA(2-(1H-indol-3-yl) propan-1-amine) | | 分子名称: | (2R)-2-(1H-indol-3-yl)propan-1-amine, Strictosidine synthase | | 著者 | Liu, H, Panjikar, S, Futamura, Y, Shao, N, Osada, H, Zou, H. | | 登録日 | 2021-12-12 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Beta-Branched Tryptamine Provoked Non Sandwich-Like-Mode Catalysis of Strictosidine Synthase to Antimalarial Indole Alkaloids
to be published
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6DAL
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ... | | 著者 | Sevrioukova, I.F. | | 登録日 | 2018-05-01 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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3HG3
 | | Human alpha-galactosidase catalytic mechanism 2. Substrate bound | | 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, Alpha-galactosidase A, ... | | 著者 | Guce, A.I, Clark, N.E, Garman, S.C. | | 登録日 | 2009-05-13 | | 公開日 | 2009-11-24 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
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6DAY
 | | Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A | | 分子名称: | 4-AMINOBENZOIC ACID, Dihydropteroate synthase, GLYCEROL, ... | | 著者 | Oliveira, A.A, Guido, R.V.C, Lima, G.M.A, Bueno, R.V, Maluf, F.V. | | 登録日 | 2018-05-02 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid
To Be Published
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7XPG
 | | Cryo-EM structure of the T=3 lake sinai virus 1 (delta-N48) virus-like capsid at pH 6.5 | | 分子名称: | Capsid protein alpha, RNA (5'-R(P*UP*G)-3') | | 著者 | Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C. | | 登録日 | 2022-05-04 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.51 Å) | | 主引用文献 | Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
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1ZI8
 | | Crystal Structure Analysis of the dienelactone hydrolase mutant(E36D, C123S, A134S, S208G, A229V, K234R)- 1.4 A | | 分子名称: | Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION | | 著者 | Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L. | | 登録日 | 2005-04-27 | | 公開日 | 2005-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
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9NN2
 | | Composite structure of HSV-1 helicase-primase in complex with a forked DNA and amenamevir | | 分子名称: | Amenamevir, DNA (5'-D(P*AP*TP*CP*TP*GP*TP*T)-3'), DNA helicase/primase complex-associated protein, ... | | 著者 | He, Q, Baranovskiy, A.G, Morstadt, L.M, Babayeva, N.D, Lim, C, Tahirov, T.H. | | 登録日 | 2025-03-04 | | 公開日 | 2025-11-19 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis of herpesvirus helicase-primase inhibition by pritelivir and amenamevir.
Sci Adv, 11, 2025
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1ZG6
 | | TEM1 beta lactamase mutant S70G | | 分子名称: | Beta-lactamase TEM | | 著者 | Stec, B, Holtz, K.M, Wojciechowski, C.L, Kantrowitz, E.R. | | 登録日 | 2005-04-20 | | 公開日 | 2005-05-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of the wild-type TEM-1 beta-lactamase at 1.55 A and the mutant enzyme Ser70Ala at 2.1 A suggest the mode of noncovalent catalysis for the mutant enzyme.
Acta Crystallogr.,Sect.D, 61, 2005
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7AM1
 | | Structure of yeast Ssd1, a pseudonuclease | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1 | | 著者 | Cook, A.G, Jayachandran, U. | | 登録日 | 2020-10-07 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site.
Nucleic Acids Res., 50, 2022
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6DHL
 | | Bovine glutamate dehydrogenase complexed with epicatechin-3-gallate (ECG) | | 分子名称: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Glutamate dehydrogenase 1, mitochondrial | | 著者 | Smith, T.J. | | 登録日 | 2018-05-20 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.624 Å) | | 主引用文献 | Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site.
J. Biol. Chem., 286, 2011
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5ZET
 | | M. smegmatis P/P state 50S ribosomal subunit | | 分子名称: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | | 著者 | Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S. | | 登録日 | 2018-02-28 | | 公開日 | 2018-09-26 | | 最終更新日 | 2025-09-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA.
Sci Rep, 8, 2018
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5EIS
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-(4-Chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione | | 分子名称: | 1,2-ETHANEDIOL, 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4 | | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | | 登録日 | 2015-10-30 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
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5EQS
 | | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir | | 分子名称: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protease, ZINC ION | | 著者 | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | | 登録日 | 2015-11-13 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | | 主引用文献 | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
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5EIW
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2 | | 分子名称: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE | | 著者 | Barral, K, Bricogne, G, Sharff, A. | | 登録日 | 2015-10-30 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.611 Å) | | 主引用文献 | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
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9FVP
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6SI5
 | | T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one | | 分子名称: | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-08 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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5ELZ
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | 著者 | Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-05 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
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6PT4
 | | Crystal structure of apo PsS1_NC | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hettle, A.G, Boraston, A.B. | | 登録日 | 2019-07-14 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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9DME
 | | Type 3 KD-mxyl filament of miniature tau macrocycle derived from 4R tauopathic fold | | 分子名称: | 1,3-dimethylbenzene, Microtubule-associated protein tau | | 著者 | Xu, X, Angera, J.I, Rajewski, H.B, Jiang, W, Del Valle, R.J. | | 登録日 | 2024-09-13 | | 公開日 | 2025-04-23 | | 最終更新日 | 2025-11-05 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Macrocyclic beta-arch peptides that mimic the structure and function of disease-associated tau folds.
Nat.Chem., 17, 2025
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7SZB
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4PF5
 | | Crystal structure of Concanavalin A complexed with a synthetic derivative of high-mannose chain | | 分子名称: | 1,2-ETHANEDIOL, 4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole, Concanavalin-A, ... | | 著者 | Lafite, P, Daniellou, R. | | 登録日 | 2014-04-28 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Synthesis of High-Mannose Oligosaccharide Analogues through Click Chemistry: True Functional Mimics of Their Natural Counterparts Against Lectins?
Chemistry, 21, 2015
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