5G0S
 
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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6QEV
 | | EngBF DARPin Fusion 4b B6 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, MANGANESE (II) ION, PEGA domain-containing protein,PEGA domain-containing protein,EngBF DARPin fusion B6 complex, ... | | 著者 | Ernst, P, Pluckthun, A, Mittl, P.R.E. | | 登録日 | 2019-01-08 | | 公開日 | 2019-11-06 | | 最終更新日 | 2020-04-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural analysis of biological targets by host:guest crystal lattice engineering.
Sci Rep, 9, 2019
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4RVI
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519 | | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | | 著者 | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | 登録日 | 2014-11-26 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1
To be Published
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3M47
 | | Crystal structure of the mutant I218A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | | 分子名称: | GLYCEROL, Orotidine 5'-phosphate decarboxylase | | 著者 | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | 登録日 | 2010-03-10 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
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7U9S
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6FKP
 | | Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide | | 分子名称: | ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2018-01-24 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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7U9U
 | | Crystal structure of human D-amino acid oxidase in complex with inhibitor | | 分子名称: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | | 著者 | Skene, R.J, Bell, J.A. | | 登録日 | 2022-03-11 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
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6T90
 | | OCT4-SOX2-bound nucleosome - SHL-6 | | 分子名称: | DNA (146-MER), Green fluorescent protein,POU domain, class 5, ... | | 著者 | Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H. | | 登録日 | 2019-10-25 | | 公開日 | 2020-05-06 | | 最終更新日 | 2020-07-08 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Mechanisms of OCT4-SOX2 motif readout on nucleosomes.
Science, 368, 2020
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6XUK
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7ZGM
 | | Plant N-glycan specific alpha-1,3-mannosidase | | 分子名称: | CALCIUM ION, Glycoside hydrolase family 92 protein, POTASSIUM ION, ... | | 著者 | Basle, A, Crouch, L, Bolam, D. | | 登録日 | 2022-04-04 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Plant N -glycan breakdown by human gut Bacteroides.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3MO4
 | | The crystal structure of an alpha-(1-3,4)-fucosidase from Bifidobacterium longum subsp. infantis ATCC 15697 | | 分子名称: | Alpha-1,3/4-fucosidase, FORMIC ACID, TYROSINE | | 著者 | Tan, K, Xu, X, Cui, H, Ng, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-04-22 | | 公開日 | 2010-05-12 | | 最終更新日 | 2012-10-10 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Bifidobacterium longum subsp. infantis ATCC 15697 alpha-fucosidases are active on fucosylated human milk oligosaccharides.
Appl.Environ.Microbiol., 78, 2012
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4TQ9
 | | Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | 登録日 | 2014-06-10 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | | 主引用文献 | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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7N0J
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4YS1
 | | Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A. | | 分子名称: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2015-03-16 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
ACS Chem. Biol., 12, 2017
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7ZOG
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6FHT
 | | Crystal structure of an artificial phytochrome regulated adenylate/guanylate cyclase in its dark adapted Pr form | | 分子名称: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome,Adenylate cyclase, DODECAETHYLENE GLYCOL, ... | | 著者 | Etzl, S, Winkler, A. | | 登録日 | 2018-01-15 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure-guided design and functional characterization of an artificial red light-regulated guanylate/adenylate cyclase for optogenetic applications.
J. Biol. Chem., 293, 2018
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6XX5
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7RM4
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4YU0
 | | Crystal structure of a tetramer of GluA2 TR mutant ligand binding domains bound with glutamate at 1.26 Angstrom resolution | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ... | | 著者 | Chebli, M, Salazar, H, Baranovic, J, Carbone, A.L, Ghisi, V, Faelber, K, Lau, A.Y, Daumke, O, Plested, A.J.R. | | 登録日 | 2015-03-18 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Crystal structure of the tetrameric GluA2 ligand-binding domain in complex with glutamate at 1.26 Angstroms resolution
To Be Published
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6XKX
 | | R. capsulatus CIII2CIV tripartite super-complex, conformation A (SC-1A) | | 分子名称: | COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ... | | 著者 | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | 登録日 | 2020-06-27 | | 公開日 | 2020-12-30 | | 最終更新日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | | 主引用文献 | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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6TH6
 | | Cryo-EM Structure of T. kodakarensis 70S ribosome | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M. | | 登録日 | 2019-11-18 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
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7NNJ
 | | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) | | 分子名称: | 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ... | | 著者 | Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F. | | 登録日 | 2021-02-24 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.755 Å) | | 主引用文献 | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
To Be Published
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6FDJ
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4Z2J
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 31 | | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ... | | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | | 登録日 | 2015-03-30 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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5NIM
 | | EthR complex | | 分子名称: | HTH-type transcriptional regulator EthR, SULFATE ION, [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone | | 著者 | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | | 登録日 | 2017-03-24 | | 公開日 | 2017-11-15 | | 最終更新日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
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