4NH9
| Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity | Descriptor: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Endoplasmin | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-11-04 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4O07
| Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease | Descriptor: | 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-12-13 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
|
|
4N98
| |
4NH8
| Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity | Descriptor: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | Authors: | Ernst, J.T, Zuccola, H.J. | Deposit date: | 2013-11-04 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4N95
| E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione | Descriptor: | 5-chloro-1H-indole-2,3-dione, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
|
|
4N94
| E. coli sliding clamp in complex with 3,4-difluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
|
|
4NH7
| Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity | Descriptor: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J. | Deposit date: | 2013-11-04 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4N9A
| E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid | Descriptor: | (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
|
|
4N97
| E. coli sliding clamp in complex with 5-nitroindole | Descriptor: | 5-nitro-1H-indole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
|
|
4N96
| E. coli sliding clamp in complex with 6-nitroindazole | Descriptor: | 6-NITROINDAZOLE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
|
|
4O09
| Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease | Descriptor: | 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-12-13 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
|
|
4ER1
| THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide | Authors: | Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L. | Deposit date: | 1990-10-14 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The active site of aspartic proteinases FEBS Lett., 174, 1984
|
|
7XY7
| Adenosine receptor bound to a non-selective agonist in complex with a G protein obtained by cryo-EM | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Zhang, J.Y, Chen, Y, Hua, T, Song, G.J. | Deposit date: | 2022-05-31 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Cryo-EM structure of the human adenosine A 2B receptor-G s signaling complex. Sci Adv, 8, 2022
|
|
7XY6
| Adenosine receptor bound to an agonist in complex with G protein obtained by cryo-EM | Descriptor: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, J.Y, Chen, Y, Hua, T, Song, G.J. | Deposit date: | 2022-05-31 | Release date: | 2023-05-03 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Cryo-EM structure of the human adenosine A 2B receptor-G s signaling complex. Sci Adv, 8, 2022
|
|
8HBS
| Crystal of rAlfNmt | Descriptor: | Glycylpeptide N-tetradecanoyltransferase | Authors: | Wang, Y, Wang, S. | Deposit date: | 2022-10-30 | Release date: | 2023-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | N -Myristoyltransferase, a Potential Antifungal Candidate Drug-Target for Aspergillus flavus. Microbiol Spectr, 11, 2023
|
|
8IF5
| AFB1-AF26 APTAMER COMPLEX | Descriptor: | AFB1 DNA aptamer (26-MER), AFLATOXIN B1 | Authors: | Xu, G.H, Wang, C, Li, C.G. | Deposit date: | 2023-02-17 | Release date: | 2023-07-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for high-affinity recognition of aflatoxin B1 by a DNA aptamer. Nucleic Acids Res., 51, 2023
|
|
8IXB
| GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin seam region | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | Deposit date: | 2023-03-31 | Release date: | 2023-08-16 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
|
|
8IXG
| GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin seam region | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | Deposit date: | 2023-03-31 | Release date: | 2023-08-16 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
|
|
8IXA
| GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin non-seam region | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | Deposit date: | 2023-03-31 | Release date: | 2023-08-16 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
|
|
8IXE
| GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin seam region | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | Deposit date: | 2023-03-31 | Release date: | 2023-08-16 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
|
|
8IXD
| GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin non-seam region | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | Deposit date: | 2023-03-31 | Release date: | 2023-08-16 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
|
|
8IXF
| GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin non-seam region | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | Deposit date: | 2023-03-31 | Release date: | 2023-08-16 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
|
|
7XKG
| Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii | Descriptor: | Acyl-CoA transferase/carnitine dehydratase-like protein | Authors: | Min, Z.Z, Fan, C.P, Wu, W.P, Xin, Y.Y, Liu, M.H, Zhang, X, Wang, Z.G, Xu, X.L. | Deposit date: | 2022-04-19 | Release date: | 2022-06-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of an Intramolecular Mesaconyl-Coenzyme A Transferase From the 3-Hydroxypropionic Acid Cycle of Roseiflexus castenholzii . Front Microbiol, 13, 2022
|
|
2BKJ
| |
2ER9
| X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES. | Descriptor: | ENDOTHIAPEPSIN, L363,564 | Authors: | Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L. | Deposit date: | 1990-10-20 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray studies of aspartic proteinase-statine inhibitor complexes. Biochemistry, 28, 1989
|
|