5MVU
 
 | |
6SWP
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046) | | 分子名称: | 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 2 | | 著者 | Chung, C. | | 登録日 | 2019-09-22 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | | 主引用文献 | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
|
|
7AMN
 | | Structure of LuxR with DNA (repression) | | 分子名称: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | | 著者 | Liu, B, Reverter, D. | | 登録日 | 2020-10-09 | | 公開日 | 2021-03-31 | | 最終更新日 | 2021-04-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
|
|
5MVP
 | | Crystal structure of an A-DNA dodecamer containing the GGGCCC motif | | 分子名称: | DNA, POTASSIUM ION | | 著者 | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | 登録日 | 2017-01-17 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.606 Å) | | 主引用文献 | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
|
|
5MW5
 | | Human Jagged2 C2-EGF2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | | 著者 | Suckling, R.J, Handford, P.A, Lea, S.M. | | 登録日 | 2017-01-18 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
|
|
7AL1
 | | Cell division protein SepF from Methanobrevibacter smithii | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein SepF | | 著者 | Sogues, A, wehenkel, A.M, Alzari, P.M. | | 登録日 | 2020-10-04 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system.
Nat Commun, 12, 2021
|
|
7ALG
 | | The RSLex - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | | 分子名称: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | 著者 | Ramberg, K, Engilberge, S, Crowley, P.B. | | 登録日 | 2020-10-06 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.452 Å) | | 主引用文献 | Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
|
|
6SU3
 | | Crystal structure of the 48C12 heliorhodopsin in the violet form at pH 8.8 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, EICOSANE, ... | | 著者 | Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V. | | 登録日 | 2019-09-12 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High-resolution structural insights into the heliorhodopsin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5MWJ
 | | Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1 | | 分子名称: | DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor | | 著者 | McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S. | | 登録日 | 2017-01-18 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1.
Chemistry, 23, 2017
|
|
6SZD
 | | Hydrogenase-2 variant R479K - hydrogen reduced form | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | 著者 | Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hydrogen activation by NiFe-hydrogenases - consolidating the role of the pendant arginine.
To Be Published
|
|
6SUG
 | | Crystal structure of transthyretin in complex with 3-deoxytolcapone, a tolcapone analogue | | 分子名称: | 3-deoxytolcapone, Transthyretin | | 著者 | Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R. | | 登録日 | 2019-09-14 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin.
Bioorg.Chem., 103, 2020
|
|
6SQ9
 | | Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-hydroxynaphthalene-2-carboxylic acid | | 分子名称: | 3-hydroxynaphthalene-2-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2019-09-03 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors.
J.Med.Chem., 63, 2020
|
|
6SQN
 | |
7ALF
 | | The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | | 分子名称: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | 著者 | Ramberg, K, Engilberge, S, Crowley, P.B. | | 登録日 | 2020-10-06 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.261 Å) | | 主引用文献 | Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
|
|
6SXV
 | | GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ... | | 著者 | McGregor, N.G.S, Davies, G.J. | | 登録日 | 2019-09-26 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | | 主引用文献 | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
|
|
5MSX
 | | Glycoside hydrolase BT_3662 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | 登録日 | 2017-01-06 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
|
|
5MYF
 | | Convergent evolution involving dimeric and trimeric dUTPases in signalling. | | 分子名称: | dUTPase from DI S. aureus phage | | 著者 | Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A. | | 登録日 | 2017-01-26 | | 公開日 | 2017-09-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization.
PLoS Pathog., 13, 2017
|
|
5MT3
 | | Human insulin in complex with serotonin and arginine | | 分子名称: | ARGININE, CHLORIDE ION, Insulin, ... | | 著者 | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | 登録日 | 2017-01-06 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules.
J. Biol. Chem., 292, 2017
|
|
7AEM
 | | Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | | 分子名称: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | 著者 | Hargreaves, D. | | 登録日 | 2020-09-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
|
|
7AKO
 | | Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide | | 分子名称: | 1,2-ETHANEDIOL, Claspin, STAUROSPORINE, ... | | 著者 | Day, M, Oliver, A.W, Pearl, L.H. | | 登録日 | 2020-10-01 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
|
|
5MUI
 | | Glycoside hydrolase BT_0996 | | 分子名称: | Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose | | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | 登録日 | 2017-01-13 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
|
|
7ARO
 | | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | | 分子名称: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | 著者 | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.119 Å) | | 主引用文献 | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
|
|
7AGH
 | |
7AG7
 | |
5MVK
 | |
