5NYW
| Anbu (ancestral beta-subunit) from Yersinia bercovieri | 分子名称: | 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ... | 著者 | Piasecka, A, Czapinska, H, Vielberg, M, Szczepanowski, R.H, Reed, S, Groll, M, Bochtler, M. | 登録日 | 2017-05-12 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers. J. Mol. Biol., 430, 2018
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5OBD
| X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole | 分子名称: | PHOSPHATE ION, Ribonuclease pancreatic, tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium | 著者 | Pontillo, N, Ferraro, G, Merlino, A. | 登録日 | 2017-06-26 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography. Dalton Trans, 46, 2017
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6PEW
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5O11
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6P7P
| Structure of E. coli MS115-1 NucC, cAAA-bound form | 分子名称: | CHLORIDE ION, Cyclic tri-AMP (5'-3' linked), E. coli MS115-1 NucC 2-241 | 著者 | Ye, Q, Lau, R.K, Berg, K.R, Corbett, K.D. | 登録日 | 2019-06-06 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity. Mol.Cell, 77, 2020
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6PB6
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6P85
| E.coli LpxD in complex with compound 3 | 分子名称: | 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine, 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, ... | 著者 | Ma, X, Shia, S. | 登録日 | 2019-06-06 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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6PHF
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5OD2
| Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Bifunctional ADP-specific glucokinase/phosphofructokinase, MAGNESIUM ION, ... | 著者 | Wisniewska, M, Tokarz, P, Grudnik, P. | 登録日 | 2017-07-04 | 公開日 | 2018-01-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism. Protein Sci., 27, 2018
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6PO3
| ClpX-ClpP complex bound to substrate and ATP-gamma-S, class 3 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ... | 著者 | Fei, X, Jenni, S, Harrison, S.C, Sauer, R.T. | 登録日 | 2019-07-03 | 公開日 | 2020-03-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.28 Å) | 主引用文献 | Structures of the ATP-fueled ClpXP proteolytic machine bound to protein substrate. Elife, 9, 2020
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7WJZ
| Omicron Spike bitrimer with 6m6 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | 著者 | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | 登録日 | 2022-01-08 | 公開日 | 2022-07-13 | 最終更新日 | 2022-09-14 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
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5ODM
| NtiPr polyamide in complex with 5'CGATGTACTACG3 | 分子名称: | 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium, 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID, ... | 著者 | Padroni, G, Parkinson, J, Burley, G.A. | 登録日 | 2017-07-06 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides. Nucleic Acids Res., 46, 2018
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6P9Q
| E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2 | 分子名称: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | 著者 | Ma, X, Shia, S, Ornelas, E. | 登録日 | 2019-06-10 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis. J.Am.Chem.Soc., 142, 2020
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5OE2
| CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245 | 分子名称: | Beta-lactamase, CHLORIDE ION, SODIUM ION | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-07 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5NV4
| UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | 著者 | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | 登録日 | 2017-05-03 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7WJV
| Crystal structure of human liver FBPase complexed with an covalent inhibitor | 分子名称: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | 著者 | Cao, H, Huang, Y, Ren, Y, Wan, J. | 登録日 | 2022-01-08 | 公開日 | 2022-07-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.724 Å) | 主引用文献 | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction. J.Med.Chem., 65, 2022
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5NW2
| pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 19) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Gadd, M.S, Soares, P, Ciulli, A. | 登録日 | 2017-05-04 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
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6PC9
| Crystal Structure of EcDsbA in a complex with purified methylpiperazinone 6 | 分子名称: | 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-17 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
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6PNH
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6POA
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine, Nitric oxide synthase, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-03 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.809 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6PEI
| Structure of sorbitol dehydrogenase from Sinorhizobium meliloti 1021 | 分子名称: | Sorbitol dehydrogenase (L-iditol 2-dehydrogenase) | 著者 | Bailey-Elkin, B.A, Kohlmeier, M.G, Oresnik, I.J, Mark, B.L. | 登録日 | 2019-06-20 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Characterization of the sorbitol dehydrogenase SmoS from Sinorhizobium meliloti 1021 Acta Crystallogr.,Sect.D, 77, 2021
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5OGX
| Crystal structure of Amycolatopsis cytochrome P450 reductase GcoB. | 分子名称: | BROMIDE ION, Cytochrome P450 reductase, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | 登録日 | 2017-07-13 | 公開日 | 2018-07-04 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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6POH
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6P8U
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6PFB
| Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. | 分子名称: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.089 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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