6GEF
 
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3TPR
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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3TPL
 | | APO Structure of BACE1 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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1VHJ
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6KFZ
 | | SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec at 1.96 angstrom resolution | | Descriptor: | Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2019-07-09 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
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1VHW
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6GIR
 | | Arabidopsis thaliana cytosolic seryl-tRNA synthetase | | Descriptor: | Serine--tRNA ligase, cytoplasmic | | Authors: | Kekez, I, Kekez, M, Rokov-Plavec, J, Matkovic-Calogovic, D. | | Deposit date: | 2018-05-15 | | Release date: | 2019-01-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Arabidopsis seryl-tRNA synthetase: the first crystal structure and novel protein interactor of plant aminoacyl-tRNA synthetase.
FEBS J., 286, 2019
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6GUJ
 | | Molybdenum storage protein with two occupied ATP binding sites | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MOLYBDATE ION, ... | | Authors: | Ermler, U, Poppe, J, Bruenle, S. | | Deposit date: | 2018-06-19 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump.
FEBS J., 285, 2018
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6GIM
 | | Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18) | | Descriptor: | DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION, [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium | | Authors: | Millan, C.R, Dardonvile, C, de Koning, H.P, Saperas, N, Campos, J.L. | | Deposit date: | 2018-05-14 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
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3OJ7
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6GU5
 | | Mosto containing the core POM clusters | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MOLYBDATE ION, Molybdenum storage protein subunit alpha, ... | | Authors: | Ermler, U, Poppe, J, Bruenle, S. | | Deposit date: | 2018-06-19 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump.
FEBS J., 285, 2018
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6KUB
 | | Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 1) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
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6GX4
 | | The molybdenum storage protein: with ATP/Mn2+ and with POM clusters formed under in vitro conditions | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, MOLYBDATE ION, ... | | Authors: | Poppe, J, Bruenle, S, Hail, R, Ermler, E. | | Deposit date: | 2018-06-26 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump.
FEBS J., 285, 2018
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6L0I
 | | Crystal structure of dihydroorotase in complex with malate at pH6.5 from Saccharomyces cerevisiae | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
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6L0F
 | | Crystal structure of dihydroorotase in complex with 5-Aminouracil from Saccharomyces cerevisiae | | Descriptor: | 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
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6GWV
 | | Molybdenum storage protein without polymolybdate clusters and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Molybdenum storage protein subunit alpha, ... | | Authors: | Ermler, U, Poppe, J, Bruenle, S. | | Deposit date: | 2018-06-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump.
FEBS J., 285, 2018
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6L0K
 | | Crystal structure of dihydroorotase in complex with malate at pH9 from Saccharomyces cerevisiae | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
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6L0H
 | | Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.054 Å) | | Cite: | Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
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6L0B
 | | Crystal structure of dihydroorotase in complex with fluorouracil from Saccharomyces cerevisiae | | Descriptor: | 5-FLUOROURACIL, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
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6L0G
 | | Crystal structure of dihydroorotase in complex with malate at pH6 from Saccharomyces cerevisiae | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
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1FYU
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6LPK
 | | A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
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6HQJ
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6H86
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6LPJ
 | | A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
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