PDB: 238582 件ウェブページステータス検索Chemie searchBIRD

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5Q0P	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q16	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q19	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q0K	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q0V	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q1A	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q0R	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q0Z	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
5Q1I	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
6LCF	Crystal Structure of beta-L-arabinobiose binding protein - native 分子名称: ABC transporter substrate binding component, beta-L-arabinofuranose-(1-2)-beta-L-arabinofuranose 著者 Miyake, M, Arakawa, T, Fushinobu, S. 登録日 2019-11-18 公開日 2020-04-22 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum. Febs J., 287, 2020
4WAK	H. influenzae beta-carbonic anhydrase variant W39V/G41A 分子名称: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ... 著者 Hoffmann, K.M, Rowlett, R.S. 登録日 2014-08-29 公開日 2014-12-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift. Biochemistry, 54, 2015
6T62	Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution 分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Vella, P, Schnell, R, Schneider, G. 登録日 2019-10-17 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2020
5JO9	Structural characterization of the thermostable Bradyrhizobium japonicum d-sorbitol dehydrogenase 分子名称: PHOSPHATE ION, Ribitol 2-dehydrogenase, sorbitol 著者 Fredslund, F, Otten, H, Navarro Poulsen, J.-C, Lo Leggio, L. 登録日 2016-05-02 公開日 2016-11-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.894 Å) 主引用文献 Structural characterization of the thermostable Bradyrhizobium japonicumD-sorbitol dehydrogenase. Acta Crystallogr F Struct Biol Commun, 72, 2016
1KTP	Crystal structure of c-phycocyanin of synechococcus vulcanus at 1.6 angstroms 分子名称: C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, PHYCOCYANOBILIN 著者 Adir, N, Dobrovetsky, E, Lerner, N. 登録日 2002-01-17 公開日 2002-03-06 最終更新日 2025-03-12 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Refined structure of c-phycocyanin from the cyanobacterium Synechococcus vulcanus at 1.6 A: insights into the role of solvent molecules in thermal stability and co-factor structure Biochim.Biophys.Acta, 1556, 2002
6T6P	Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution 分子名称: 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION 著者 Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. 登録日 2019-10-18 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2021
5K59	Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody 分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ... 著者 Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E. 登録日 2016-05-23 公開日 2016-08-10 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies. Mabs, 8, 2016
1L7E	Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, nicotinamide nucleotide Transhydrogenase, subunit alpha 1 著者 Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D. 登録日 2002-03-14 公開日 2002-11-20 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structures of Transhydrogenase Domain I with and without Bound NADH Biochemistry, 41, 2002
6T60	Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution 分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase 著者 Vella, P, Schnell, R, Schneider, G. 登録日 2019-10-17 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2020
6T6N	Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ... 著者 Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. 登録日 2019-10-18 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2021
1L9O	CRYSTAL STRUCTURE OF NITRITE SOAKED I257A VARIANT OF THE COPPER-CONTAINING NITRITE REDUCTASE FROM ALCALIGENES FAECALIS 分子名称: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION 著者 Boulanger, M.J, Murphy, M.E.P. 登録日 2002-03-26 公開日 2003-02-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Directing the mode of nitrite binding to a copper-containing nitrite reductase from Alcaligenes faecalis S-6: Characterization of an active site isoleucine PROTEIN SCI., 12, 2003
6T77	Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution 分子名称: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. 登録日 2019-10-21 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2021
1L1C	Structure of the LicT Bacterial Antiterminator Protein in Complex with its RNA Target 分子名称: Transcription antiterminator licT, licT mRNA antiterminator hairpin 著者 Yang, Y, Declerck, N, Manival, X, Aymerich, S, Kochoyan, M. 登録日 2002-02-15 公開日 2002-03-27 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution structure of the LicT-RNA antitermination complex: CAT clamping RAT. EMBO J., 21, 2002
1L9Q	CRYSTAL STRUCTURE OF THE I257L VARIANT OF THE COPPER-CONTAINING NITRITE REDUCTASE FROM ALCALIGENES FAECALIS S-6 分子名称: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION 著者 Boulanger, M.J, Murphy, M.E.P. 登録日 2002-03-26 公開日 2003-02-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Directing the mode of nitrite binding to a copper-containing nitrite reductase from Alcaligenes faecalis S-6: Characterization of an active site isoleucine PROTEIN SCI., 12, 2003
1L9R	CRYSTAL STRUCTURE OF THE I257M VARIANT OF THE COPPER-CONTAINING NITRITE REDUCTASE FROM ALCALIGENES FAECALIS S-6 分子名称: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION 著者 Boulanger, M.J, Murphy, M.E.P. 登録日 2002-03-26 公開日 2003-02-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Directing the mode of nitrite binding to a copper-containing nitrite reductase from Alcaligenes faecalis S-6: Characterization of an active site isoleucine PROTEIN SCI., 12, 2003
5XX3	A BPTI-[5,55] variant with C14GA38G mutations 分子名称: Pancreatic trypsin inhibitor, SULFATE ION 著者 Islam, M.M. 登録日 2017-07-01 公開日 2018-07-04 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Hydrophobic surface residues can stabilize a protein through improved water-protein interactions. Febs J., 2019

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