6ASI
 
 | | E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | | 登録日 | 2017-08-24 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | | 主引用文献 | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
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6AT2
 | | E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | | 登録日 | 2017-08-27 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.444 Å) | | 主引用文献 | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
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6APO
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4M9I
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6I09
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6HX4
 | | Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin | | 分子名称: | Alpha-1-antitrypsin, Fab 1D9 heavy chain, Fab 1D9 light chain | | 著者 | Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Lomas, D.A, Irving, J.A. | | 登録日 | 2018-10-15 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin
To Be Published
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6AWQ
 | | Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site | | 分子名称: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ... | | 著者 | Coleman, J.A, Gouaux, E. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (4.046 Å) | | 主引用文献 | Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018
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5NFQ
 | | Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | | 著者 | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | | 登録日 | 2017-03-15 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments.
Front Bioeng Biotechnol, 6, 2018
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5NBV
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6ASC
 | | Mre11 dimer in complex with Endonuclease inhibitor PFM04 | | 分子名称: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ... | | 著者 | Moiani, D, Arvai, A.S, Tainer, J.A. | | 登録日 | 2017-08-24 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Meth. Enzymol., 601, 2018
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6AT8
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6HJL
 | | Affimer:BclxL | | 分子名称: | Affimer ADB13, Bcl-2-like protein 1 | | 著者 | Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | | 登録日 | 2018-09-04 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
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6APQ
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5NM9
 | | Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site. | | 分子名称: | DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION | | 著者 | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | | 登録日 | 2017-04-05 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
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6HML
 | | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | | 分子名称: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tucker, J.A, Barkauskaite, E. | | 登録日 | 2018-09-12 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6AX7
 | | The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | | 分子名称: | FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase | | 著者 | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | | 登録日 | 2017-09-06 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
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6HWJ
 | | Glucosamine kinase (crystal form A) | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Manso, J.A, Pereira, P.J.B. | | 登録日 | 2018-10-12 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | | 主引用文献 | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
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6I0A
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6GNT
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | | 分子名称: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | | 著者 | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | 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 (1.6 Å) | | 主引用文献 | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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5NA1
 | | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - holoprotein structure - 2.32 A resolution | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, NADH dehydrogenase-like protein SAOUHSC_00878, ... | | 著者 | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | | 登録日 | 2017-02-27 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
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6GUF
 | | CDK2/CyclinA in complex with CGP74514A | | 分子名称: | Cyclin-A2, Cyclin-dependent kinase 2, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | 登録日 | 2018-06-19 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6GVK
 | | Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e) | | 分子名称: | Dystonin, GLYCEROL, Integrin beta-4 | | 著者 | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | | 登録日 | 2018-06-21 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes.
Structure, 27, 2019
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6AT3
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6GZV
 | | Identification of a druggable VP1-VP3 interprotomer pocket in the capsid of enteroviruses | | 分子名称: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | | 著者 | Geraets, J.A, Flatt, J.W, Domanska, A, Butcher, S.J. | | 登録日 | 2018-07-05 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses.
Plos Biol., 17, 2019
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6APP
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