4CC6
 
 | | Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase | | Descriptor: | 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION | | Authors: | Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A. | | Deposit date: | 2013-10-18 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
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4CC5
 | | Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase | | Descriptor: | 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine, DNA LIGASE, SULFATE ION | | Authors: | Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A. | | Deposit date: | 2013-10-18 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
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4EVU
 | | Crystal structure of C-terminal domain of putative periplasmic protein ydgH from S. enterica | | Descriptor: | CHLORIDE ION, Putative periplasmic protein ydgH, SULFATE ION | | Authors: | Michalska, K, Cui, H, Xu, X, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Savchenko, A, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-04-26 | | Release date: | 2012-05-30 | | Last modified: | 2014-07-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
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4ZMH
 | | Crystal structure of a five-domain GH115 alpha-Glucuronidase from the Marine Bacterium Saccharophagus degradans 2-40T | | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Nocek, B, Cui, H, Wang, W, Savchenko, A. | | Deposit date: | 2015-05-04 | | Release date: | 2016-05-04 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Biochemical and Structural Characterization of a Five-domain GH115 alpha-Glucuronidase from the Marine Bacterium Saccharophagus degradans 2-40T.
J.Biol.Chem., 291, 2016
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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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7K9Z
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ... | | Authors: | Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P. | | Deposit date: | 2020-09-29 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.
Nat Commun, 12, 2021
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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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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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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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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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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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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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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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4RD8
 | | The crystal structure of a functionally-unknown protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | | Descriptor: | Uncharacterized protein | | Authors: | Tan, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-18 | | Release date: | 2014-10-01 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The crystal structure of a functionally-unknown protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
To be Published
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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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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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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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3L9A
 | | Structure of the C-terminal domain from a Streptococcus mutans hypothetical | | Descriptor: | GLYCEROL, SODIUM ION, uncharacterized protein | | Authors: | Singer, A.U, Cuff, M.E, Xu, X, Cui, H, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-04 | | Release date: | 2010-04-07 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of the C-terminal domain from a Streptococcus mutans hypothetical
To be Published
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3LED
 | | Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III from Rhodopseudomonas palustris CGA009 | | Descriptor: | 3-oxoacyl-acyl carrier protein synthase III, FORMIC ACID | | Authors: | Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-14 | | Release date: | 2010-01-26 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III from Rhodopseudomonas palustris CGA009
To be Published
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3EFE
 | | The crystal structure of the thiJ/pfpI family protein from Bacillus anthracis | | Descriptor: | SULFATE ION, ThiJ/pfpI family protein | | Authors: | Zhang, R, Xu, X, Cui, H, Savchenko, A, Edwards, A, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-09-08 | | Release date: | 2008-09-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of the thiJ/pfpI family protein from Bacillus anthracis
To be Published
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3E6Q
 | | Putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | | Authors: | Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-08-15 | | Release date: | 2008-08-26 | | Last modified: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | X-ray crystal structure of putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa.
To be Published
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3E9Q
 | | Crystal Structure of the Short Chain Dehydrogenase from Shigella flexneri | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Kim, Y, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-08-23 | | Release date: | 2008-09-23 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Short Chain Dehydrogenase from Shigella flexneri
To be Published
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3EC6
 | | Crystal structure of the General Stress Protein 26 from Bacillus anthracis str. Sterne | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, General stress protein 26, SULFATE ION | | Authors: | Kim, Y, Xu, X, Cui, H, Savchenko, A, Edwards, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-08-29 | | Release date: | 2008-09-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the general stress protein 26 from Bacillus anthracis str. Sterne
To be Published
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