4QAG
| Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase | Descriptor: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H | Authors: | Himmel, D.M, Ho, W.C, Arnold, E. | Deposit date: | 2014-05-04 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs. J.Mol.Biol., 426, 2014
|
|
3T0T
| Crystal structure of S. aureus Pyruvate Kinase | Descriptor: | N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase | Authors: | Worrall, L.J, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2011-07-20 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase. Acs Chem.Biol., 7, 2012
|
|
5EMY
| Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol | Descriptor: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, CALCIUM ION, CHLORIDE ION, ... | Authors: | Caner, S, Brayer, G.D. | Deposit date: | 2015-11-06 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.231 Å) | Cite: | Glucosyl epi-cyclophellitol allows mechanism-based inactivation and structural analysis of human pancreatic alpha-amylase. Febs Lett., 590, 2016
|
|
5FOO
| 6-phospho-beta-glucosidase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ... | Authors: | Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J. | Deposit date: | 2015-11-24 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases. FEBS Lett., 590, 2016
|
|
3HA6
| Crystal structure of aurora A in complex with TPX2 and compound 10 | Descriptor: | N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2 | Authors: | Zhao, B, Clark, M.A. | Deposit date: | 2009-05-01 | Release date: | 2009-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
|
|
3HA8
| THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b | Descriptor: | Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | Authors: | Zhao, B, Clark, M.A. | Deposit date: | 2009-05-01 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
|
|
4IRL
| X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jin, T, Huang, M, Smith, P, Xiao, T. | Deposit date: | 2013-01-15 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure of the caspase-recruitment domain from a zebrafish guanylate-binding protein. Acta Crystallogr.,Sect.F, 69, 2013
|
|
7K11
| |
7K10
| |
7K0Y
| Cryo-EM structure of activated-form DNA-PK (complex VI) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-06 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
|
|
7K19
| CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex I) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-07 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
|
|
7K1J
| CryoEM structure of inactivated-form DNA-PK (Complex III) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-07 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
|
|
7K1N
| CryoEM structure of inactivated-form DNA-PK (Complex V) | Descriptor: | DNA (5'-D(P*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(P*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-08 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
|
|
7K17
| |
7K1K
| CryoEM structure of inactivated-form DNA-PK (Complex IV) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-07 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
|
|
7K1B
| CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex II) | Descriptor: | DNA (5'-D(P*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-07 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
|
|
5YZP
| Crystal structure of p204 HINa domain | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ifi204 | Authors: | Jin, T. | Deposit date: | 2017-12-15 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | Structural mechanism of DNA recognition by the p204 HIN domain. Nucleic Acids Res., 2021
|
|
3RYT
| The Plexin A1 intracellular region in complex with Rac1 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A1, ... | Authors: | Zhang, X, He, H. | Deposit date: | 2011-05-11 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.582 Å) | Cite: | Plexins Are GTPase-Activating Proteins for Rap and Are Activated by Induced Dimerization. Sci.Signal., 5, 2012
|
|
7CCE
| |
6B9K
| |
6BK8
| S. cerevisiae spliceosomal post-catalytic P complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Lea1, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2017-11-07 | Release date: | 2018-02-21 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the yeast spliceosomal postcatalytic P complex. Science, 358, 2017
|
|
2PS7
| Y295F trichodiene synthase | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | Deposit date: | 2007-05-04 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif. Arch.Biochem.Biophys., 469, 2008
|
|
2PS6
| N225D/S229T trichodiene synthase | Descriptor: | 1,2-ETHANEDIOL, Trichodiene synthase | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | Deposit date: | 2007-05-04 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif. Arch.Biochem.Biophys., 469, 2008
|
|
2PS5
| N225D Trichodiene Synthase: Complex With Mg and Pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | Deposit date: | 2007-05-04 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif. Arch.Biochem.Biophys., 469, 2008
|
|
5YZW
| Crystal structure of p204 HINb domain | Descriptor: | Ifi204 | Authors: | Jin, T. | Deposit date: | 2017-12-15 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural mechanism of DNA recognition by the p204 HIN domain. Nucleic Acids Res., 2021
|
|