4Y67
 
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2015-02-12 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
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4Y6P
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2015-02-13 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
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5KAR
 | | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | | 著者 | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | 登録日 | 2016-06-02 | | 公開日 | 2016-10-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.142 Å) | | 主引用文献 | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
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6SWX
 | | Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor | | 分子名称: | METHIONINE, Putative methionyl-tRNA synthetase, methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate | | 著者 | Robinson, D.A, Torrie, L.S, Shepherd, S.M, De Rycker, M, Thomas, M.G, Wyatt, P.G. | | 登録日 | 2019-09-24 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of an Allosteric Binding Site in Kinetoplastid Methionyl-tRNA Synthetase.
Acs Infect Dis., 6, 2020
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5KB0
 | | Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide | | 分子名称: | CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ... | | 著者 | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2016-06-02 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
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5KBP
 | | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583 | | 分子名称: | Glycosyl hydrolase, family 38, SULFATE ION | | 著者 | Tan, K, Chhor, G, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-06-03 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583
To Be Published
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7OJM
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2021-05-16 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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6NMY
 | | A Cytokine-receptor complex | | 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, Cytokine receptor common subunit beta, ... | | 著者 | Dhagat, U, Kan, W.L, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | | 登録日 | 2019-01-13 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.301 Å) | | 主引用文献 | Signalling conformation of cell surface receptor
To Be Published
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5UYQ
 | | 70S ribosome bound with near-cognate ternary complex base-paired to A site codon, closed 30S (Structure III-nc) | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | | 登録日 | 2017-02-24 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Ensemble cryo-EM elucidates the mechanism of translation fidelity
Nature, 546, 2017
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5M4A
 | | Neutral trehalase Nth1 from Saccharomyces cerevisiae in complex with trehalose | | 分子名称: | Neutral trehalase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | 著者 | Smidova, A, Alblova, M, Obsilova, V, Obsil, T. | | 登録日 | 2016-10-18 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6GXY
 | | Tryparedoxin from Trypanosoma brucei in complex with CFT | | 分子名称: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, Tryparedoxin | | 著者 | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | | 登録日 | 2018-06-27 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.
Angew. Chem. Int. Ed. Engl., 58, 2019
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8AA3
 | | Core SusCD transporter units from the inactive levan utilisome in the presence of levan fructo-oligosaccharides DP 15-25 | | 分子名称: | MAGNESIUM ION, SusC homolog, SusD homolog, ... | | 著者 | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | | 登録日 | 2022-06-29 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-06-21 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
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6SZ5
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6GNK
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | 登録日 | 2018-05-31 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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8ODW
 | | Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Modular Oxime Formation by a trans-AT Polyketide Synthase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8A9Y
 | | Substrate-free levan utilisation machinery (utilisome) | | 分子名称: | DUF4960 domain-containing protein, Glycoside hydrolase family 32, MAGNESIUM ION, ... | | 著者 | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | | 登録日 | 2022-06-29 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
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8TV1
 | | Structure of the EphA2 LBDCRD bound to FabS1C_L1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | | 著者 | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | 登録日 | 2023-08-17 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation
To be published
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7TO5
 | | HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 1] | | 分子名称: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | 登録日 | 2022-01-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022
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7TO6
 | | HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 2] | | 分子名称: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | 登録日 | 2022-01-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022
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8AA1
 | | Core SusCD transporter units from the levan utilisome with levan fructo-oligosaccharides DP 8-12 | | 分子名称: | MAGNESIUM ION, SusC homolog, SusD homolog, ... | | 著者 | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | | 登録日 | 2022-06-29 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-06-21 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
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6VL4
 | | Crystal Structure of mPGES-1 bound to DG-031 | | 分子名称: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ... | | 著者 | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | 登録日 | 2020-01-22 | | 公開日 | 2020-12-02 | | 最終更新日 | 2020-12-16 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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8AA0
 | | Levan utilisation machinery (utilisome) with levan fructo-oligosaccharides DP 8-12 | | 分子名称: | DUF4960 domain-containing protein, Glycoside hydrolase family 32, MAGNESIUM ION, ... | | 著者 | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | | 登録日 | 2022-06-29 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-06-21 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
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8AA2
 | | Inactive levan utilisation machinery (utilisome) in the presence of levan fructo-oligosaccharides DP 15-25 | | 分子名称: | DUF4960 domain-containing protein, Glycoside hydrolase family 32, MAGNESIUM ION, ... | | 著者 | White, J.B.R, Silale, A, Ranson, N.A, van den Berg, B. | | 登録日 | 2022-06-29 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-06-21 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
Nature, 618, 2023
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6GQI
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6SI1
 | | p53 cancer mutant Y220H | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ... | | 著者 | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-08-08 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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