8JT6
 
 | | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | | 分子名称: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | | 登録日 | 2023-06-21 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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6NLM
 | | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 15) | | 分子名称: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | 登録日 | 2019-01-08 | | 公開日 | 2019-05-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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6NN3
 | | Structure of parvovirus B19 decorated with Fab molecules from a human antibody | | 分子名称: | Fab monoclonal antibody 860-55D, heavy chain, light chain, ... | | 著者 | Rossmann, M.G, Sun, Y, Klose, T, Liu, Y. | | 登録日 | 2019-01-14 | | 公開日 | 2019-02-13 | | 最終更新日 | 2020-03-04 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Structure of Parvovirus B19 Decorated by Fabs from a Human Antibody.
J. Virol., 93, 2019
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4R5Y
 | | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | | 分子名称: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | | 著者 | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | | 登録日 | 2014-08-22 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
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6G0S
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SIRT7 peptide (K272ac/K275ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, NAD-dependent protein deacetylase sirtuin-7 | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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7FDO
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7FDN
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1Z95
 | | Crystal Structure of the Androgen Receptor Ligand-binding Domain W741L Mutant Complex with R-bicalutamide | | 分子名称: | Androgen Receptor, R-BICALUTAMIDE, SULFATE ION | | 著者 | Bohl, C.E, Gao, W, Miller, D.D, Bell, C.E, Dalton, J.T. | | 登録日 | 2005-03-31 | | 公開日 | 2005-04-19 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for antagonism and resistance of bicalutamide in prostate cancer.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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6NLN
 | | 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | | 分子名称: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | 登録日 | 2019-01-08 | | 公開日 | 2019-05-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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3JQ8
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine (DX3) | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Tulloch, L.B, Hunter, W.N. | | 登録日 | 2009-09-06 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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6NPV
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1ZF3
 | | ATC Four-stranded DNA Holliday Junction | | 分子名称: | 5'-D(*CP*CP*GP*AP*TP*AP*TP*CP*GP*G)-3', CALCIUM ION | | 著者 | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | 登録日 | 2005-04-19 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1ZFH
 | | TTA Duplex B-DNA | | 分子名称: | 5'-D(*CP*CP*TP*AP*AP*TP*TP*AP*GP*G)-3' | | 著者 | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | 登録日 | 2005-04-20 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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8K1T
 | | Potassium transporter KtrAB from Bacillus subtilis in ATP-bound state with addition of MgCl2 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ... | | 著者 | Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D. | | 登録日 | 2023-07-11 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.48 Å) | | 主引用文献 | Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB.
Nat Commun, 15, 2024
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6NQM
 | | Crystal structure of Human LSD1 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A | | 著者 | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | | 登録日 | 2019-01-21 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
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3KA2
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1ZEZ
 | | ACC Holliday Junction | | 分子名称: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION | | 著者 | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | 登録日 | 2005-04-19 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1ZF7
 | | GAC Duplex B-DNA | | 分子名称: | 5'-D(*CP*CP*GP*TP*CP*GP*AP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | | 著者 | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | 登録日 | 2005-04-20 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3J79
 | | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, large subunit | | 分子名称: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | 著者 | Wong, W, Bai, X.C, Brown, A, Fernandez, I.S, Hanssen, E, Condron, M, Tan, Y.H, Baum, J, Scheres, S.H.W. | | 登録日 | 2014-06-02 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine.
Elife, 3, 2014
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4QYG
 | | CHK1 kinase domain in complex with diazacarbazole compound 14 | | 分子名称: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | | 著者 | Wiesmann, C, Wu, P. | | 登録日 | 2014-07-24 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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2Z7Z
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6NE0
 | | Structure of double-stranded target DNA engaged Csy complex from Pseudomonas aeruginosa (PA-14) | | 分子名称: | CRISPR RNA (60-MER), CRISPR target DNA (44-MER), CRISPR-associated endonuclease Cas6/Csy4, ... | | 著者 | Chowdhury, S, Rollins, M.F, Carter, J, Golden, S.M, Miettinen, H.M, Santiago-Frangos, A, Faith, D, Lawrence, M.C, Wiedenheft, B, Lander, G.C. | | 登録日 | 2018-12-15 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry.
Mol. Cell, 74, 2019
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4R59
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8ECM
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6NSD
 | | Tar14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Tryptophan halogenase | | 著者 | Luhavaya, H, Chekan, J.R, Moore, B.S. | | 登録日 | 2019-01-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Biosynthesis of l-4-Chlorokynurenine, an Antidepressant Prodrug and a Non-Proteinogenic Amino Acid Found in Lipopeptide Antibiotics.
Angew.Chem.Int.Ed.Engl., 58, 2019
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