6WQC
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![BU of 6wqc by Molmil](/molmil-images/mine/6wqc) | Crystal structure of VipF from Legionella hackeliae in complex with CoA | Descriptor: | COENZYME A, N-terminal acetyltransferase, GNAT family | Authors: | Stogios, P.J, Skarina, T, Wawrzak, Z, Sandoval, J, Di Leo, R, Savchenko, A. | Deposit date: | 2020-04-28 | Release date: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of VipF from Legionella hackeliae in complex with CoA To Be Published
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4F21
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![BU of 4f21 by Molmil](/molmil-images/mine/4f21) | Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis | Descriptor: | Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form | Authors: | Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-07 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis. J.Biol.Chem., 288, 2013
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4FEV
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![BU of 4fev by Molmil](/molmil-images/mine/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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4F78
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![BU of 4f78 by Molmil](/molmil-images/mine/4f78) | Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | Authors: | Stogios, P.J, Wawrzak, Z, Evdokimova, E, Minasov, G, Egorova, O, Di Leo, R, Kudritska, M, Yim, V, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-15 | Release date: | 2012-05-23 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
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4FEU
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![BU of 4feu by Molmil](/molmil-images/mine/4feu) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125 | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 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: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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6D7Y
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![BU of 6d7y by Molmil](/molmil-images/mine/6d7y) | 1.75 Angstrom Resolution Crystal Structure of the Toxic C-Terminal Tip of CdiA from Pseudomonas aeruginosa in Complex with Immune Protein | Descriptor: | Hemagglutinin, immune protein | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Allen, J.P, Hauser, A.R, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-25 | Release date: | 2019-05-01 | Last modified: | 2020-04-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A comparative genomics approach identifies contact-dependent growth inhibition as a virulence determinant. Proc.Natl.Acad.Sci.USA, 117, 2020
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1IDP
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![BU of 1idp by Molmil](/molmil-images/mine/1idp) | |
5HT0
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![BU of 5ht0 by Molmil](/molmil-images/mine/5ht0) | Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A | Descriptor: | Aminoglycoside acetyltransferase HMB0005, COENZYME A, SULFATE ION | Authors: | Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.752 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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5HMN
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![BU of 5hmn by Molmil](/molmil-images/mine/5hmn) | Crystal structure of an aminoglycoside acetyltransferase HMB0005 from an uncultured soil metagenomic sample, unknown active site density modeled as polyethylene glycol | Descriptor: | AAC3-I, COENZYME A, TETRAETHYLENE GLYCOL | Authors: | Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-16 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.018 Å) | Cite: | Crystal structure of an aminoglycoside acetyltransferase HMB0005 from an uncultured soil metagenomic sample, unknown active site density modeled as polyethylene glycol To Be Published
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6NBG
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![BU of 6nbg by Molmil](/molmil-images/mine/6nbg) | 2.05 Angstrom Resolution Crystal Structure of Hypothetical Protein KP1_5497 from Klebsiella pneumoniae. | Descriptor: | CHLORIDE ION, Glucosamine-6-phosphate deaminase, PHOSPHATE ION | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-07 | Release date: | 2018-12-19 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6NAU
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![BU of 6nau by Molmil](/molmil-images/mine/6nau) | 1.55 Angstrom Resolution Crystal Structure of 6-phosphogluconolactonase from Klebsiella pneumoniae | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, CHLORIDE ION | Authors: | Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-06 | Release date: | 2018-12-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6M9U
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![BU of 6m9u by Molmil](/molmil-images/mine/6m9u) | Structure of the apo-form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Mythen, S.M, Pollet, R.M, Koropatkin, N.M, Ridlon, J.M. | Deposit date: | 2018-08-24 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biochemical characterization of 20 beta-hydroxysteroid dehydrogenase fromBifidobacterium adolescentisstrain L2-32. J.Biol.Chem., 294, 2019
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7UWV
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![BU of 7uwv by Molmil](/molmil-images/mine/7uwv) | |
7UWW
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![BU of 7uww by Molmil](/molmil-images/mine/7uww) | Sas6 with alpha-cyclodextrin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ... | Authors: | Photenhauer, A.L, Koropatkin, N.M. | Deposit date: | 2022-05-04 | Release date: | 2023-06-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch. Nat.Struct.Mol.Biol., 31, 2024
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7UWU
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![BU of 7uwu by Molmil](/molmil-images/mine/7uwu) | Starch adherence system protein 6 (Sas6) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Starch Adherence System protein 6 (Sas6), ... | Authors: | Photenhauer, A.L, Koropatkin, N.M. | Deposit date: | 2022-05-04 | Release date: | 2023-06-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch. Nat.Struct.Mol.Biol., 31, 2024
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6ALL
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![BU of 6all by Molmil](/molmil-images/mine/6all) | Crystal structure of a predicted ferric/iron (III) hydroxymate siderophore substrate binding protein from Bacillus anthracis | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Fe(3+)-citrate-binding protein yfmC | Authors: | Stogios, P.J, Wawrzak, Z, Skarina, T, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-08-08 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal structure of a predicted ferric/iron (III) hydroxymate siderophore substrate binding protein from Bacillus anthracis To Be Published
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6OAD
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![BU of 6oad by Molmil](/molmil-images/mine/6oad) | 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655. | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ... | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-03-15 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis. Protein Sci., 29, 2020
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5CXW
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![BU of 5cxw by Molmil](/molmil-images/mine/5cxw) | Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V | Descriptor: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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5E76
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![BU of 5e76 by Molmil](/molmil-images/mine/5e76) | |
5E75
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![BU of 5e75 by Molmil](/molmil-images/mine/5e75) | Crystal structure of Bacova_02651 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Koropatkin, N.M. | Deposit date: | 2015-10-11 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Molecular Dissection of Xyloglucan Recognition in a Prominent Human Gut Symbiont. Mbio, 7, 2016
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5E7H
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![BU of 5e7h by Molmil](/molmil-images/mine/5e7h) | |
5E7G
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![BU of 5e7g by Molmil](/molmil-images/mine/5e7g) | |
3H2Y
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![BU of 3h2y by Molmil](/molmil-images/mine/3h2y) | Crystal structure of YqeH GTPase from Bacillus anthracis with dGDP bound | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, GTPase family protein | Authors: | Brunzelle, J.S, Anderson, S.M, Xu, X, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-04-15 | Release date: | 2009-06-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of YqeH GTPase from Bacillus anthracis with dGDP Bound To be Published
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3IHS
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![BU of 3ihs by Molmil](/molmil-images/mine/3ihs) | Crystal Structure of a Phosphocarrier Protein HPr from Bacillus anthracis str. Ames | Descriptor: | Phosphocarrier protein HPr | Authors: | Brunzelle, J.S, Anderson, S.M, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-30 | Release date: | 2009-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal Structure of a Phosphocarrier Protein HPr from Bacillus anthracis str. Ames To be Published
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6B82
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![BU of 6b82 by Molmil](/molmil-images/mine/6b82) | Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex | Descriptor: | ACETATE ION, Abiraterone, CHLORIDE ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2017-10-05 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes. J. Biol. Chem., 293, 2018
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