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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
5BXI
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BU of 5bxi by Molmil
1.7 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii with Tyrosine of Tag Bound to Active Site
Descriptor: BICARBONATE ION, DI(HYDROXYETHYL)ETHER, Nucleoside diphosphate kinase
Authors:Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-06-09
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
3RGL
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BU of 3rgl by Molmil
The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC in complex with ATP and glycine
Descriptor: (2S)-2-hydroxybutanedioic acid, ADENOSINE-5'-TRIPHOSPHATE, GLYCINE, ...
Authors:Tan, K, Zhang, R, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-04-08
Release date:2011-06-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC in complex with ATP and glycine.
To be Published
3R0S
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BU of 3r0s by Molmil
UDP-N-acetylglucosamine acyltransferase from Campylobacter jejuni
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION
Authors:Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-03-08
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:UDP-N-acetylglucosamine acyltransferase from Campylobacter jejuni.
To be Published
3RRO
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BU of 3rro by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Vibrio cholerae
Descriptor: 1,2-ETHANEDIOL, 3-ketoacyl-(acyl-carrier-protein) reductase, CHLORIDE ION, ...
Authors:Hou, J, Chruszcz, M, Cooper, D.R, Grabowski, M, Zheng, H, Osinski, T, Shumilin, I, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-04-29
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
3RY3
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BU of 3ry3 by Molmil
Putative solute-binding protein from Yersinia pestis.
Descriptor: ACETATE ION, Putative solute-binding protein
Authors:Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-05-10
Release date:2011-05-18
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Putative solute-binding protein from Yersinia pestis.
To be Published
3RYK
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BU of 3ryk by Molmil
1.63 Angstrom resolution crystal structure of dTDP-4-dehydrorhamnose 3,5-epimerase (rfbC) from Bacillus anthracis str. Ames with TDP and PPi bound
Descriptor: PYROPHOSPHATE 2-, THYMIDINE-5'-DIPHOSPHATE, dTDP-4-dehydrorhamnose 3,5-epimerase
Authors:Halavaty, A.S, Kuhn, M, Minasov, G, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-05-11
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Structure of the Bacillus anthracis dTDP-L-rhamnose-biosynthetic enzyme dTDP-4-dehydrorhamnose 3,5-epimerase (RfbC).
Acta Crystallogr F Struct Biol Commun, 73, 2017
3LJK
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BU of 3ljk by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-01-26
Release date:2010-03-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:X-ray crystal structure of glucose-6-phosphate isomerase from Francisella tularensis.
To be Published
5SWV
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BU of 5swv by Molmil
Dehydroquinate dehydratase and shikimate dehydrogenase from S. pombe AroM
Descriptor: Pentafunctional AROM polypeptide, TRIETHYLENE GLYCOL
Authors:Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-08-08
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dehydroquinate dehydratase and shikimate dehydrogenase from S. pombe AroM
To Be Published
7JYY
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BU of 7jyy by Molmil
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
6AWA
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BU of 6awa by Molmil
1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
Descriptor: ADENOSINE MONOPHOSPHATE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Minasov, G, 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:2017-09-05
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
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
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
6BND
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BU of 6bnd by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex
Descriptor: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
6BNE
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BU of 6bne by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, phosphate-bound complex
Descriptor: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
7RCA
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BU of 7rca by Molmil
Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
Descriptor: CHLORIDE ION, Chorismate synthase, SULFATE ION
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-07
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
To Be Published
7RGN
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BU of 7rgn by Molmil
Crystal structure of putative fructose-1,6-bisphosphate aldolase from Candida auris
Descriptor: Fructose-bisphosphate aldolase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-15
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of putative fructose-1,6-bisphosphate aldolase from Candida auris
To Be Published
7RGE
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BU of 7rge by Molmil
Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex
Descriptor: 3'-phosphoadenylylsulfate reductase, GLYCEROL, PHOSPHATE ION
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-15
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex
To Be Published
7REU
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BU of 7reu by Molmil
Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
Descriptor: 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-13
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
To Be Published
7RQG
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BU of 7rqg by Molmil
Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2
Descriptor: Non-structural protein 3
Authors:Stogios, P.J, Skarina, T, Chang, C, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-06
Release date:2021-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2
To Be Published
7RC0
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BU of 7rc0 by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20
Descriptor: 3C-like proteinase, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate, SODIUM ION
Authors:Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-06
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RBS
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BU of 7rbs by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with human ISG15
Descriptor: Papain-like protease, Ubiquitin-like protein ISG15, ZINC ION
Authors:Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-06
Release date:2021-09-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
7RC1
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BU of 7rc1 by Molmil
X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686
Descriptor: 3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE
Authors:Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-07
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RBZ
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BU of 7rbz by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20
Descriptor: 3C-like proteinase, 5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate
Authors:Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-06
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RBR
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BU of 7rbr by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-06
Release date:2021-09-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023

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