7TAF
 
 | | Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with inhibitor 11526092 | | Descriptor: | N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide, viral protein 1, viral protein 2, ... | | Authors: | Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-12-20 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
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7TAG
 | | Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with pleconaril | | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, viral protein 1, viral protein 2, ... | | Authors: | Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-12-20 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68
To Be Published
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7RZC
 | | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor | | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-08-27 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
To be Published
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6BVC
 | | Crystal structure of AAC(3)-Ia in complex with coenzyme A | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Aminoglycoside-(3)-N-acetyltransferase, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-12-12 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.808 Å) | | Cite: | To be published
To Be Published
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5HOP
 | | 1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e | | Descriptor: | ACETATE ION, Lmo0182 protein | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-19 | | Release date: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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4FCA
 | | The crystal structure of a functionally unknown conserved protein from Bacillus anthracis str. Ames. | | Descriptor: | Conserved domain protein, IMIDAZOLE, NICKEL (II) ION | | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-24 | | Release date: | 2012-06-06 | | Method: | X-RAY DIFFRACTION (2.055 Å) | | Cite: | The crystal structure of a functionally unknown conserved protein from Bacillus anthracis str. Ames.
To be Published
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4FFZ
 | | Crystal Structure of DENV1-E111 fab fragment bound to DENV-1 DIII (Western Pacific-74 strain). | | Descriptor: | DENV1-E111 fab fragment (heavy chain), DENV1-E111 fab fragment (light chain), Envelope protein E | | Authors: | Austin, S.K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-06-01 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Basis of Differential Neutralization of DENV-1 Genotypes by an Antibody that Recognizes a Cryptic Epitope.
Plos Pathog., 8, 2012
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4HKJ
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4EJ7
 | | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, ATP-bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside 3'-phosphotransferase AphA1-IAB, CALCIUM ION, ... | | Authors: | Stogios, P.J, Minasov, G, Tan, K, Evdokimova, E, Egorova, O, Di Leo, R, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-06 | | Release date: | 2012-04-18 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
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4HN3
 | | The crystal structure of a sex pheromone precursor (lmo1757) from Listeria monocytogenes EGD-e | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Tan, K, Makowska-Grzyska, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-10-18 | | Release date: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | The crystal structure of a sex pheromone precursor (lmo1757) from Listeria monocytogenes EGD-e
To be Published
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4ECL
 | | Crystal structure of the cytoplasmic domain of vancomycin resistance serine racemase VanTg | | Descriptor: | CHLORIDE ION, SULFATE ION, Serine racemase | | Authors: | Stogios, P.J, Wawrzak, Z, Minasov, G, Evdokimova, E, Egorova, O, Cosme, J, Di Leo, R, Krishnamoorthy, M, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-26 | | Release date: | 2012-04-18 | | Last modified: | 2016-06-01 | | Method: | X-RAY DIFFRACTION (2.017 Å) | | Cite: | Structural and Functional Adaptation of Vancomycin Resistance VanT Serine Racemases.
MBio, 6, 2015
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7RJ3
 | | Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis | | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycogen accumulation regulator GarA | | Authors: | Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-20 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis.
To Be Published
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4NOG
 | | Crystal structure of a putative ornithine aminotransferase from Toxoplasma gondii ME49 in complex with pyrodoxal-5'-phosphate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Filippova, E.V, Halavaty, A, Ruan, J, Shuvalova, L, Flores, K, Dubrovska, I, Ngo, H, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-11-19 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
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4EWQ
 | | Human p38 alpha MAPK in complex with a pyridazine based inhibitor | | Descriptor: | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... | | Authors: | Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-27 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
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6BB9
 | | The crystal structure of 4-amino-4-deoxychorismate lyase from Salmonella typhimurium LT2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-4-deoxychorismate lyase, ... | | Authors: | Tan, K, Makowska-Grzyska, M, Nocek, B, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-10-17 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.282 Å) | | Cite: | The crystal structure of 4-amino-4-deoxychorismate lyase from Salmonella typhimurium LT2
To Be Published
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4JJX
 | | Dodecameric structure of spermidine N-acetyltransferase SpeG from Vibrio cholerae O1 biovar eltor | | Descriptor: | Spermidine n1-acetyltransferase | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-03-08 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
J.Mol.Biol., 427, 2015
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7JYY
 | | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM). | | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
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4JLY
 | | Dodecameric structure of spermidine N-acetyltransferase from Vibrio cholerae | | Descriptor: | SULFATE ION, Spermidine n1-acetyltransferase | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-03-13 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.882 Å) | | Cite: | Substrate-Induced Allosteric Change in the Quaternary Structure of the Spermidine N-Acetyltransferase SpeG.
J.Mol.Biol., 427, 2015
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6AOO
 | | 2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae | | Descriptor: | Malate dehydrogenase, SULFATE ION | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-08-16 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae.
To Be Published
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6D0P
 | | 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Kiryukhina, O, Endres, M, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-10 | | Release date: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii
To be Published
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4FEV
 | | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1 | | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
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4FEX
 | | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor tyrphostin AG1478 | | Descriptor: | ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, KANAMYCIN A, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
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4FG0
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7LAO
 | | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION | | Authors: | Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-01-06 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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7JM2
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with apramycin | | Descriptor: | APRAMYCIN, Aminocyclitol acetyltransferase ApmA, CHLORIDE ION | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-30 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with apramycin
To Be Published
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