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6VWW
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BU of 6vww by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2.
Descriptor: ACETIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-20
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Protein Sci., 29, 2020
4ZXU
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BU of 4zxu by Molmil
2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Descriptor: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE 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:2015-05-20
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
9BIY
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BU of 9biy by Molmil
Crystal structure of the periplasmic domain of IgaA from Escherichia coli
Descriptor: Intracellular growth attenuator protein igaA, Outer membrane lipoprotein RcsF
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 32, 2024
9BJ0
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BU of 9bj0 by Molmil
Crystal structure of the periplasmic domain of IgaA from Escherichia coli
Descriptor: Intracellular growth attenuator protein igaA
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 32, 2024
9BIZ
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BU of 9biz by Molmil
Crystal structure of the periplasmic domain of IgaA from Klebsiella pneumoniae
Descriptor: Intracellular growth attenuator protein igaA
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 32, 2024
6P4U
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BU of 6p4u by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-28
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6P3I
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BU of 6p3i by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-23
Release date:2019-06-05
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6W08
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BU of 6w08 by Molmil
Crystal Structure of Motility Associated Killing Factor E from Vibrio cholerae
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Jedrzejczak, R, Joachimiak, G, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-29
Release date:2020-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
6W4H
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BU of 6w4h by Molmil
1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2
Descriptor: 2'-O-methyltransferase, ACETATE ION, Non-structural protein 10, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-10
Release date:2020-03-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
4ZWL
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BU of 4zwl by Molmil
2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Descriptor: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE 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:2015-05-19
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
To be Published
6P7U
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BU of 6p7u by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Sacchettini, J.C, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p
To Be Published
6W6Y
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BU of 6w6y by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Non-structural protein 3
Authors:Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-18
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6VYO
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BU of 6vyo by Molmil
Crystal structure of RNA binding domain of nucleocapsid phosphoprotein from SARS coronavirus 2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-27
Release date:2020-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
6CTY
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BU of 6cty by Molmil
Crystal structure of dihydroorotase pyrC from Yersinia pestis in complex with zinc and malate at 2.4 A resolution
Descriptor: D-MALATE, Dihydroorotase, ZINC ION
Authors:Lipowska, J, Shabalin, I.G, Winsor, J, Woinska, M, Cooper, D.R, Kwon, K, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-03-23
Release date:2018-04-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae.
Int.J.Biol.Macromol., 136, 2019
6W63
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BU of 6w63 by Molmil
Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77
Descriptor: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
Authors:Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-16
Release date:2020-03-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6CI6
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BU of 6ci6 by Molmil
Crystal structure of equine serum albumin in complex with nabumetone
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ...
Authors:Venkataramany, B.S, Czub, M.P, Shabalin, I.G, Handing, K.B, Steen, E.H, Cooper, D.R, Joachimiak, A, Satchell, K.J.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-02-23
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 2020
6PI9
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BU of 6pi9 by Molmil
Crystal structure of 16S rRNA methyltransferase RmtF in complex with S-Adenosyl-L-homocysteine
Descriptor: 16S rRNA (guanine(1405)-N(7))-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Stogios, P.J, Kim, Y, Evdokimova, E, Di Leo, R, Semper, C, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-26
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of 16S rRNA methylase RmtF in complex with S-Adenosyl-L-homocysteine
To be Published
6CY6
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BU of 6cy6 by Molmil
Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Escherichia coli in complex with tris(hydroxymethyl)aminomethane.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-04
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
Acta Crystallogr D Struct Biol, 75, 2019
4WQK
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BU of 4wqk by Molmil
Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")-Ia, apo form
Descriptor: 2''-aminoglycoside nucleotidyltransferase, CHLORIDE ION, GLYCEROL, ...
Authors:Cox, G, Stogios, P.J, Savchenko, A, Wright, G.D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-10-22
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Structural and Molecular Basis for Resistance to Aminoglycoside Antibiotics by the Adenylyltransferase ANT(2)-Ia.
Mbio, 6, 2015
4GKH
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BU of 4gkh by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1
Descriptor: 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 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, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-11
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.863 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
6D0P
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BU of 6d0p by Molmil
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
4GKI
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BU of 4gki by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1
Descriptor: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 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, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-11
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
6W37
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BU of 6w37 by Molmil
STRUCTURE OF THE SARS-CoV-2 ORF7A ENCODED ACCESSORY PROTEIN
Descriptor: ORF7a protein
Authors:Nelson, C.A, Minasov, G, Shuvalova, L, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-09
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:STRUCTURE OF THE SARS-CoV-2 ORF7A ENCODED ACCESSORY PROTEIN
To be published
4WK6
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BU of 4wk6 by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) (G141A) from Vibrio cholerae in complex with NADPH
Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL
Authors:Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-10-01
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
4GUJ
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BU of 4guj by Molmil
1.50 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Shikimate
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-dehydroquinate dehydratase, ZINC ION
Authors:Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-29
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014

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