5ACK
| Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket | 分子名称: | 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M. | 登録日 | 2015-08-17 | 公開日 | 2015-10-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods. Angew.Chem.Int.Ed.Engl., 54, 2015
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6FCE
| NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors | 分子名称: | ACP-HIS-DPHE-ARG-TRP-ASP-NH2 | 著者 | Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J. | 登録日 | 2017-12-20 | 公開日 | 2018-04-25 | 最終更新日 | 2018-05-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors. J. Med. Chem., 61, 2018
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6Q63
| BT0459 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, CALCIUM ION, ... | 著者 | Basle, A, Crouch, L, Bolam, D. | 登録日 | 2018-12-10 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci. Nat Microbiol, 4, 2019
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6Q7T
| ERK2 mini-fragment binding | 分子名称: | 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-13 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6Q86
| Structure of Fucosylated D-antimicrobial peptide SB4 in complex with the Fucose-binding lectin PA-IIL at 2.008 Angstrom resolution | 分子名称: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | 著者 | Baeriswyl, S, Stocker, A, Reymond, J.L. | 登録日 | 2018-12-14 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.008 Å) | 主引用文献 | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes. Acs Chem.Biol., 14, 2019
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5A8C
| The ultra high resolution structure of a novel alpha-L-arabinofuranosidase (CtGH43) from Clostridium thermocellum ATCC 27405 with bound trimethyl N-Oxide (TRS) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6 | 著者 | Goyal, A, Ahmed, S, Sharma, K, Fontes, C.M.G.A, Najmudin, S. | 登録日 | 2015-07-14 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Molecular determinants of substrate specificity revealed by the structure of Clostridium thermocellum arabinofuranosidase 43A from glycosyl hydrolase family 43 subfamily 16. Acta Crystallogr D Struct Biol, 72, 2016
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3GEY
| Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor Pj34 | 分子名称: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 15 | 著者 | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-02-26 | 公開日 | 2009-03-24 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein. J.Biol.Chem., 290, 2015
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6FES
| Crystal structure of novel repeat protein BRIC2 fused to DARPin D12 | 分子名称: | 1,2-ETHANEDIOL, D12_BRIC2, a synthetic protein,D12_BRIC2, ... | 著者 | ElGamacy, M, Coles, M, Ernst, P, Zhu, H, Hartmann, M.D, Plueckthun, A, Lupas, A. | 登録日 | 2018-01-03 | 公開日 | 2018-09-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture. ACS Synth Biol, 7, 2018
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6QAH
| ERK2 mini-fragment binding | 分子名称: | 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-19 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QAO
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6Q4T
| KOD DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | 著者 | Kropp, H.M, Diederichs, K, Marx, A. | 登録日 | 2018-12-06 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | 主引用文献 | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide. Angew.Chem.Int.Ed.Engl., 58, 2019
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6Q4Z
| Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose | 分子名称: | LmxM MPT-2 D94N, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose | 著者 | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Kloehn, J, Viera-Lara, M, Stanton, L, Cobbold, S, Pires, D.E, Hanssen, E, Parker, M.W, Ascher, D.B, Williams, S.J, McConville, M.J, Davies, G.J. | 登録日 | 2018-12-06 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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3GI9
| Crystal Structure of ApcT Transporter Bound to 7F11 Monoclonal Fab Fragment | 分子名称: | 7F11 Anti-ApcT Monoclonal Fab Heavy Chain, 7F11 Anti-ApcT Monoclonal Fab Light Chain, Uncharacterized protein MJ0609 | 著者 | Shaffer, P.L, Goehring, A.S, Shankaranarayanan, A, Gouaux, E, New York Consortium on Membrane Protein Structure (NYCOMPS) | 登録日 | 2009-03-05 | 公開日 | 2009-08-18 | 最終更新日 | 2017-06-07 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structure and mechanism of a na+-independent amino Acid transporter. Science, 325, 2009
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2K5J
| Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1 | 分子名称: | uncharacterized protein yiiF | 著者 | Wu, Y, Singarapu, K, Semesi, A, Yee, A, Bansal, S, Prestegard, J, Arrowsmith, C, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2008-06-28 | 公開日 | 2008-08-26 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1 To be Published
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3GIG
| Crystal structure of phosphorylated DesKC in complex with AMP-PCP | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK | 著者 | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | 登録日 | 2009-03-05 | 公開日 | 2009-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.502 Å) | 主引用文献 | Structural plasticity and catalysis regulation of a thermosensor histidine kinase Proc.Natl.Acad.Sci.USA, 106, 2009
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6Q7G
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | 分子名称: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.047 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7S
| ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, PHENOL, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-13 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QEY
| IMP1 KH1 and KH2 domains create a structural platform with unique RNA recognition and re-modelling properties | 分子名称: | ACETONITRILE, Insulin-like growth factor 2 mRNA-binding protein 1, PHOSPHATE ION | 著者 | Dagil, R, Ball, N.J, Ogrodowicz, R.W, Purkiss, A.G, Taylor, I.A, Ramos, A. | 登録日 | 2019-01-09 | 公開日 | 2019-03-27 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | IMP1 KH1 and KH2 domains create a structural platform with unique RNA recognition and re-modelling properties. Nucleic Acids Res., 47, 2019
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3B2L
| Iodide derivative of human LFABP | 分子名称: | Fatty acid-binding protein, liver, IODIDE ION, ... | 著者 | Sharma, A, Yogavel, M, Sharma, A. | 登録日 | 2011-08-03 | 公開日 | 2012-06-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Utility of anion and cation combinations for phasing of protein structures. J.Struct.Funct.Genom., 13, 2012
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6Q8G
| Structure of Fucosylated D-antimicrobial peptide SB8 in complex with the Fucose-binding lectin PA-IIL at 1.190 Angstrom resolution | 分子名称: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | 著者 | Baeriswyl, S, Stocker, A, Reymond, J.-L. | 登録日 | 2018-12-14 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes. Acs Chem.Biol., 14, 2019
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6QH4
| Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant | 分子名称: | COBALT (II) ION, Methylmalonyl-CoA epimerase, mitochondrial | 著者 | Bailey, H.J, Chaikuid, A, Krysztofinska, E, Froese, D.S, Sorrell, F.J, Diaz-Saez, L, Kennedy, E, Edwards, A.M, Bountra, C, Yue, W.W. | 登録日 | 2019-01-15 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | 主引用文献 | Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant To Be Published
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3G1Z
| Structure of IDP01693/yjeA, a potential t-RNA synthetase from Salmonella typhimurium | 分子名称: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, PHOSPHATE ION, ... | 著者 | Singer, A.U, Evdokimova, E, Kudritska, M, Cuff, M.E, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2009-01-30 | 公開日 | 2009-03-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | PoxA, yjeK, and elongation factor P coordinately modulate virulence and drug resistance in Salmonella enterica. Mol.Cell, 39, 2010
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3G2M
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1PHS
| THE THREE-DIMENSIONAL STRUCTURE OF THE SEED STORAGE PROTEIN PHASEOLIN AT 3 ANGSTROMS RESOLUTION | 分子名称: | PHASEOLIN, BETA-TYPE PRECURSOR | 著者 | Lawrence, M.C, Suzuki, E, Varghese, J.N, Davis, P.C, Vandonkelaar, A, Tulloch, P.A, Colman, P.M. | 登録日 | 1990-03-21 | 公開日 | 1990-10-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The three-dimensional structure of the seed storage protein phaseolin at 3 A resolution. EMBO J., 9, 1990
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6QK8
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