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7JIW
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BU of 7jiw by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
5VXN
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BU of 5vxn by Molmil
Structure of two RcsB dimers bound to two parallel DNAs.
Descriptor: DNA (5'-D(*GP*AP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*A)-3'), Transcriptional regulatory protein RcsB
Authors:Filippova, E.V, Minasov, G, Pshenychnyi, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-05-23
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.375 Å)
Cite:Structural Basis for DNA Recognition by the Two-Component Response Regulator RcsB.
MBio, 9, 2018
5FBS
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BU of 5fbs by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with ADP and magnesium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoenolpyruvate synthase
Authors:Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-14
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
5HL3
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BU of 5hl3 by Molmil
Crystal structure of Listeria monocytogenes InlP
Descriptor: CALCIUM ION, CHLORIDE ION, Lmo2470 protein
Authors:Nocadello, S, Light, S.H, Minasov, G, Kiryukhina, O, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing.
Plos Pathog., 14, 2018
3EC6
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BU of 3ec6 by Molmil
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:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the general stress protein 26 from Bacillus anthracis str. Sterne
To be Published
6AON
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BU of 6aon by Molmil
1.72 Angstrom Resolution Crystal Structure of 2-Oxoglutarate Dehydrogenase Complex Subunit Dihydrolipoamide Dehydrogenase from Bordetella pertussis in Complex with FAD
Descriptor: CALCIUM ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Minasov, G, Wawrzak, Z, Skarina, T, McChesney, C, 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 (1.72 Å)
Cite:1.72 Angstrom Resolution Crystal Structure of 2-Oxoglutarate Dehydrogenase Complex Subunit Dihydrolipoamide Dehydrogenase from Bordetella pertussis in Complex with FAD
To Be Published
4M0G
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BU of 4m0g by Molmil
The crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor.
Descriptor: Adenylosuccinate synthetase, CHLORIDE ION
Authors:Tan, K, Zhou, M, Zhang, R, Kwon, K, Anderson, W.F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-08-01
Release date:2013-08-14
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:The crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor.
To be Published
6AZI
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BU of 6azi by Molmil
1.75 Angstrom Resolution Crystal Structure of D-alanyl-D-alanine Endopeptidase from Enterobacter cloacae in Complex with Covalently Bound Boronic Acid
Descriptor: BORATE ION, D-alanyl-D-alanine endopeptidase
Authors:Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-11
Release date:2017-10-04
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:1.75 Angstrom Resolution Crystal Structure of D-alanyl-D-alanine Endopeptidase from Enterobacter cloacae in Complex with Covalently Bound Boronic Acid.
To be Published
6U7L
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BU of 6u7l by Molmil
2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli.
Descriptor: CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming)
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment.
Protein Sci., 29, 2020
6U6C
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BU of 6u6c by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK2-bound form
Descriptor: 1,2-ETHANEDIOL, 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ...
Authors:Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-29
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase.
Protein Sci., 29, 2020
4Q92
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BU of 4q92 by Molmil
1.90 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-modified Cys289
Descriptor: Betaine aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-04-28
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
6U5A
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BU of 6u5a by Molmil
Crystal structure of Equine Serum Albumin complex with 6-MNA
Descriptor: (6-methoxynaphthalen-2-yl)acetic acid, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-27
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6B3N
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BU of 6b3n by Molmil
Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
Descriptor: NleG5-1
Authors:Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-22
Release date:2017-11-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
To Be Published
5U08
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BU of 5u08 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, ACETATE ION, CALCIUM ION, ...
Authors:Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-11-23
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
3DR3
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BU of 3dr3 by Molmil
Structure of IDP00107, a potential N-acetyl-gamma-glutamylphosphate reductase from Shigella flexneri
Descriptor: D-MALATE, N-acetyl-gamma-glutamyl-phosphate reductase, SODIUM ION
Authors:Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-07-10
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of IDP00107, a potential N-acetyl-gamma-glutamylphosphate reductase from Shigella flexneri
To be Published
4QJE
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BU of 4qje by Molmil
1.85 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-free sulfinic acid form of Cys289
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ...
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-06-03
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
5WIF
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BU of 5wif by Molmil
Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, BORIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Shatsman, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-07-19
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis
To Be Published
5W6L
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BU of 5w6l by Molmil
Crystal Structure of RRSP, a MARTX Toxin Effector Domain from Vibrio vulnificus CMCP6
Descriptor: CHLORIDE ION, GLYCEROL, RTX repeat-containing cytotoxin, ...
Authors:Minasov, G, Wawrzak, Z, Biancucci, M, Shuvalova, L, Dubrovska, I, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:The bacterial Ras/Rap1 site-specific endopeptidase RRSP cleaves Ras through an atypical mechanism to disrupt Ras-ERK signaling.
Sci Signal, 11, 2018
6C5C
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BU of 6c5c by Molmil
Crystal structure of the 3-dehydroquinate synthase (DHQS) domain of Aro1 from Candida albicans SC5314 in complex with NADH
Descriptor: 1,2-ETHANEDIOL, 3-dehydroquinate synthase, CHLORIDE ION, ...
Authors:Michalska, K, Evdokimova, E, Di Leo, R, Stogios, P.J, Savchenko, A, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-01-16
Release date:2018-01-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Life Sci Alliance, 5, 2022
5WI5
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BU of 5wi5 by Molmil
2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.
Descriptor: (2R)-2-(phosphonooxy)propanoic acid, MAGNESIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-07-18
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.
To Be Published
6BI4
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BU of 6bi4 by Molmil
2.9 Angstrom Resolution Crystal Structure of dTDP-Glucose 4,6-dehydratase (rfbB) from Bacillus anthracis str. Ames in Complex with NAD.
Descriptor: NICKEL (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Halavaty, A.S, Kuhn, M, Shuvalova, L, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-10-31
Release date:2017-11-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure of the Bacillus anthracis dTDP-l-rhamnose biosynthetic pathway enzyme: dTDP-alpha-d-glucose 4,6-dehydratase, RfbB.
J.Struct.Biol., 202, 2018
4F21
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BU of 4f21 by Molmil
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:2024-10-16
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
6D0G
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BU of 6d0g by Molmil
1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii
Descriptor: BROMIDE ION, MANGANESE (II) ION, Pirin family protein
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 (1.78 Å)
Cite:1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii.
To be Published
4QWO
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BU of 4qwo by Molmil
1.52 Angstrom Crystal Structure of A42R Profilin-like Protein from Monkeypox Virus Zaire-96-I-16
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-07-16
Release date:2014-08-06
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of the Monkeypox virus profilin-like protein A42R reveals potential functional differences from cellular profilins.
Acta Crystallogr.,Sect.F, 78, 2022
5VT3
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BU of 5vt3 by Molmil
High resolution structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD
Descriptor: CACODYLATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Chang, C, Grimshaw, S, Maltseva, N, Mulligan, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-05-15
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:High resolution structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD
To Be Published

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