5BY0
| Crystal structure of magnesium-bound Duf89 protein Saccharomyces cerevisiae | Descriptor: | MAGNESIUM ION, Protein-glutamate O-methyltransferase | Authors: | Nocek, B, Cuff, M, Cui, H, Xu, X, Savchenko, A, Joachimiak, A, Yakunin, A. | Deposit date: | 2015-06-09 | Release date: | 2015-07-29 | Last modified: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of magnesium-bound Duf89 protein Saccharomyces cerevisiae To Be Published
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4MWA
| 1.85 Angstrom Crystal Structure of GCPE Protein from Bacillus anthracis | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, CHLORIDE ION, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Brunzelle, J.S, Xu, X, Cui, H, Maltseva, N, Bishop, B, Kwon, K, Savchenko, A, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-24 | Release date: | 2013-10-09 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1.85 Angstrom Crystal Structure of GCPE Protein from Bacillus anthracis. TO BE PUBLISHED
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4NO6
| yCP in complex with Z-Leu-Leu-Leu-vinylsulfone | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NO1
| yCP in complex with Z-Leu-Leu-Leu-B(OH)2 | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NNN
| yCP in complex with MG132 | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-18 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4O2I
| The crystal structure of non-LEE encoded type III effector C from Citrobacter rodentium | Descriptor: | Non-LEE encoded type III effector C, ZINC ION | Authors: | Chang, C, Xu, X, Cui, H, Savchenko, A, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2013-12-17 | Release date: | 2014-01-15 | Last modified: | 2014-05-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of non-LEE encoded type III effector C from Citrobacter rodentium To be Published
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4NO8
| yCP in complex with Z-Leu-Leu-Leu-ketoamide | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NO9
| yCP in complex with Z-Leu-Leu-Leu-epoxyketone | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NNW
| yCP in complex with Z-Leu-Leu-Leu-ketoaldehyde | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4O8O
| Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, bound to alpha-L-arabinose | Descriptor: | Alpha-L-arabinofuranosidase, CALCIUM ION, alpha-L-arabinofuranose | Authors: | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | Deposit date: | 2013-12-28 | Release date: | 2014-07-02 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus. Appl.Environ.Microbiol., 80, 2014
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4O8N
| Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, in the apoprotein form | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase, CALCIUM ION, ... | Authors: | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | Deposit date: | 2013-12-28 | Release date: | 2014-07-02 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.6476 Å) | Cite: | Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus. Appl.Environ.Microbiol., 80, 2014
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4O8P
| Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, bound to xylotetraose | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Alpha-L-arabinofuranosidase, CALCIUM ION, ... | Authors: | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | Deposit date: | 2013-12-28 | Release date: | 2014-07-02 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.557 Å) | Cite: | Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus. Appl.Environ.Microbiol., 80, 2014
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4PVA
| Crystal structure of GH62 hydrolase from thermophilic fungus Scytalidium thermophilum | Descriptor: | GH62 hydrolase, GLYCEROL, PHOSPHATE ION | Authors: | Nocek, B, Kaur, A.P, Xu, X, Cui, H, Savchenko, A. | Deposit date: | 2014-03-15 | Release date: | 2014-11-19 | Last modified: | 2015-05-06 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Functional and structural diversity in GH62 alpha-L-arabinofuranosidases from the thermophilic fungus Scytalidium thermophilum. Microb Biotechnol, 8, 2015
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4PSU
| Crystal structure of alpha/beta hydrolase from Rhodopseudomonas palustris CGA009 | Descriptor: | Alpha/beta hydrolase, DODECAETHYLENE GLYCOL | Authors: | Nocek, B, Hajighasemi, M, Xu, X, Cui, H, Savchenko, A, Yakunin, A. | Deposit date: | 2014-03-07 | Release date: | 2015-03-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of alpha/beta hydrolase from Rhodopseudomonas palustris CGA009 TO BE PUBLISHED
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4PV7
| Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor | Descriptor: | 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine, Dipeptidyl peptidase 4 soluble form | Authors: | Xiao, P, Guo, R, Huang, S, Cui, H, Ye, S, Zhang, Z. | Deposit date: | 2014-03-15 | Release date: | 2015-03-18 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold Chin.Chem.Lett., 25, 2014
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4PVI
| Crystal structure of GH62 hydrolase in complex with xylotriose | Descriptor: | GH62 hydrolase, PHOSPHATE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Nocek, B, Kaur, A.P, Xu, X, Cui, H, Savchenko, A. | Deposit date: | 2014-03-17 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structure of GH62 hydrolase in complex with xylotriose TO BE PUBLISHED
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4QE7
| Open MthK pore structure soaked in 10 mM Ba2+/100 mM Na+ | Descriptor: | BARIUM ION, Calcium-gated potassium channel MthK | Authors: | Guo, R, Zeng, W, Cui, H, Chen, L, Ye, S. | Deposit date: | 2014-05-15 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ionic interactions of Ba2+ blockades in the MthK K+ channel J.Gen.Physiol., 144, 2014
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4QE9
| Open MthK pore structure soaked in 10 mM Ba2+/100 mM K+ | Descriptor: | Calcium-gated potassium channel MthK, POTASSIUM ION | Authors: | Guo, R, Zeng, W, Cui, H, Chen, L, Ye, S. | Deposit date: | 2014-05-15 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Ionic interactions of Ba2+ blockades in the MthK K+ channel J.Gen.Physiol., 144, 2014
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4QN8
| The crystal structure of an effector protein VipE from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | BETA-MERCAPTOETHANOL, VipE | Authors: | Tan, K, Xu, X, Cui, H, Liu, S, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-06-17 | Release date: | 2014-07-16 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | The crystal structure of an effector protein VipE from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 To be Published
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4R17
| Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome | Descriptor: | (2S,3S)-3-methylaziridine-2-carboxylic acid, MAGNESIUM ION, Proteasome subunit alpha type-1, ... | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | Deposit date: | 2014-08-04 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site. Angew.Chem.Int.Ed.Engl., 53, 2014
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4R18
| Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome | Descriptor: | ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ... | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | Deposit date: | 2014-08-04 | Release date: | 2014-10-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site. Angew.Chem.Int.Ed.Engl., 53, 2014
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4R0J
| The crystal structure of a functionally uncharacterized protein SMU1763c from Streptococcus mutans | Descriptor: | CHLORIDE ION, SULFATE ION, Uncharacterized protein | Authors: | Tan, K, Xu, X, Cui, H, Liu, S, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-07-31 | Release date: | 2014-08-13 | Method: | X-RAY DIFFRACTION (1.715 Å) | Cite: | The crystal structure of a functionally uncharacterized protein SMU1763c from Streptococcus mutans To be Published
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3MTJ
| The Crystal Structure of a Homoserine Dehydrogenase from Thiobacillus denitrificans to 2.15A | Descriptor: | Homoserine dehydrogenase, SULFATE ION | Authors: | Stein, A.J, Cui, H, Chin, S, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-30 | Release date: | 2010-05-12 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Crystal Structure of a Homoserine Dehydrogenase from Thiobacillus denitrificans to 2.15A To be Published
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3MZ1
| The crystal structure of a possible TRANSCRIPTION REGULATOR PROTEIN from Sinorhizobium meliloti 1021 | Descriptor: | CHLORIDE ION, Putative transcriptional regulator | Authors: | Tan, K, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-05-11 | Release date: | 2010-06-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The crystal structure of a possible TRANSCRIPTION REGULATOR PROTEIN from Sinorhizobium meliloti 1021 To be Published
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3MVK
| The Crystal Structure of FucU from Bifidobacterium longum to 1.65A | Descriptor: | GLYCEROL, SODIUM ION, TRIETHYLENE GLYCOL, ... | Authors: | Stein, A.J, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-05-04 | Release date: | 2010-05-12 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Crystal Structure of FucU from Bifidobacterium longum to 1.65A To be Published
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