PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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4MRO	Human GKRP bound to AMG-5980 and S6P 分子名称: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... 著者 St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C. 登録日 2013-09-17 公開日 2014-05-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J.Med.Chem., 57, 2014
4MXF	X-ray structure of the adduct between bovine pancreatic ribonuclease and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers 分子名称: GOLD ION, Ribonuclease pancreatic 著者 Russo Krauss, I, Vergara, A, Merlino, A. 登録日 2013-09-26 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Interactions of gold-based drugs with proteins: crystal structure of the adduct formed between ribonuclease A and a cytotoxic gold(iii) compound. Metallomics, 6, 2014
4MPV	Human beta-tryptase co-crystal structure with (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide 分子名称: (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 White, A, Stein, A.J, Suto, R. 登録日 2013-09-13 公開日 2015-03-18 最終更新日 2019-09-25 実験手法 X-RAY DIFFRACTION (2.305 Å) 主引用文献 Target-Directed Self-Assembly of Homodimeric Drugs Against beta-Tryptase. Acs Med.Chem.Lett., 9, 2018
4MPW	Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) 分子名称: ACETATE ION, CHLORIDE ION, TRIETHYLENE GLYCOL, ... 著者 White, A, Stein, A.J, Suto, R. 登録日 2013-09-13 公開日 2015-03-18 最終更新日 2019-09-25 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A Novel, Nonpeptidic, Orally Active Bivalent Inhibitor of Human beta-Tryptase. Pharmacology, 102, 2018
5Q0O	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide, Bile acid receptor, CHLORIDE ION, ... 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 (1.9 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
5Q14	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}-3-fluorobenzoic 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 2021-11-17 実験手法 X-RAY DIFFRACTION (1.85 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
4N39	Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) 分子名称: Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE 著者 Lazarus, M.B, Herr, W, Walker, S. 登録日 2013-10-06 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 HCF-1 is cleaved in the active site of O-GlcNAc transferase. Science, 342, 2013
5Q1C	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)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 (2.3 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
4NXN	Crystal Structure of the 30S ribosomal subunit from a GidB (RsmG) mutant of Thermus thermophilus (HB8), bound with streptomycin 分子名称: 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ... 著者 Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. 登録日 2013-12-09 公開日 2014-05-21 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (3.544 Å) 主引用文献 A structural basis for streptomycin resistance To be Published
3R87	Crystal Structure of Orf6 protein from Photobacterium profundum 分子名称: Putative uncharacterized protein 著者 Rodriguez-Guilbe, M.M, Schreiter, E.R, Baerga Ortiz, A. 登録日 2011-03-23 公開日 2012-03-28 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Structure, Activity, and Substrate Selectivity of the Orf6 Thioesterase from Photobacterium profundum. J.Biol.Chem., 288, 2013
5ODD	HUMAN MED26 N-TERMINAL DOMAIN (1-92) 分子名称: Mediator of RNA polymerase II transcription subunit 26 著者 Lens, Z, Cantrelle, F.-X, Perruzini, R, Dewitte, F, Hanoulle, X, Villeret, V, Verger, A, Landrieu, I. 登録日 2017-07-05 公開日 2017-11-29 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 1H, 15N and 13C assignments of the N-terminal domain of the Mediator complex subunit MED26. Biomol.Nmr Assign., 10, 2016
4P0K	Crystal Structure of Double Loop-Swapped Interleukin-36Ra 分子名称: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein 著者 Guenther, S, Sundberg, E.J. 登録日 2014-02-21 公開日 2014-06-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor. J Immunol., 193, 2014
4OGE	Crystal structure of the Type II-C Cas9 enzyme from Actinomyces naeslundii 分子名称: HNH endonuclease domain protein, MAGNESIUM ION, SPERMIDINE, ... 著者 Jiang, F, Ma, E, Lin, S, Doudna, J.A. 登録日 2014-01-15 公開日 2014-02-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.201 Å) 主引用文献 Structures of Cas9 endonucleases reveal RNA-mediated conformational activation. Science, 343, 2014
5Q0I	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide, Bile acid receptor, COACTIVATOR PEPTIDE PGC-1A PPAR GAMMA COACTIVATOR 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 (1.7 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
5Q0Q	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate 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 (2.6 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
5Q13	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-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 (1.9 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
3SRF	Human M1 pyruvate kinase 分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. 登録日 2011-07-07 公開日 2012-08-08 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.845 Å) 主引用文献 Allosetric regulation of M2 pyruvate kinase. To be Published
3SRH	Human M2 pyruvate kinase 分子名称: PHOSPHATE ION, Pyruvate kinase isozymes M1/M2 著者 Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. 登録日 2011-07-07 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Allosetric regulation of M2 pyruvate kinase. To be Published
4MEA	Crystal structure of the Cif epoxide hydrolase from Acinetobacter nosocomialis 分子名称: Predicted protein 著者 Bahl, C.D, Madden, D.R. 登録日 2013-08-25 公開日 2014-02-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Signature motifs identify an acinetobacter cif virulence factor with epoxide hydrolase activity. J.Biol.Chem., 289, 2014
5Q0M	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic 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 (2.2 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
5Q0W	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, Bile acid receptor, cDNA FLJ76652, ... 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 (1.9 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
5Q12	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine, 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
5Q1G	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide, 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
4M3W	RB69 DNA polymerase ternary complex with dT/dG at position n-4 of primer/template duplex 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... 著者 Xia, S, Konigsberg, W.H. 登録日 2013-08-06 公開日 2014-02-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant. Protein Sci., 23, 2014
5VNG	Crystal structure of Sec23a/Sec24a/Sec22 complexed with a C-terminal II sorting motif 分子名称: C-terminal ILE-ILE, Protein transport protein Sec23A, Protein transport protein Sec24A, ... 著者 Ma, W, Goldberg, J. 登録日 2017-04-30 公開日 2017-07-05 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate. Elife, 6, 2017

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