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3M6L
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BU of 3m6l by Molmil
Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate and calcium ion
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Nocek, B, Makowska-Grzyska, M, Maltseva, N, Joachimiak, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-03-15
Release date:2010-04-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate and calcium ion
To be Published
3QMN
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BU of 3qmn by Molmil
Crystal Structure of 4'-Phosphopantetheinyl Transferase AcpS from Vibrio cholerae O1 biovar eltor
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Kim, Y, Halavaty, A.S, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-02-04
Release date:2011-03-02
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
Acta Crystallogr.,Sect.D, 68, 2012
3NZT
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BU of 3nzt by Molmil
2.0 Angstrom Crystal structure of Glutamate--Cysteine Ligase (gshA) ftom Francisella tularensis in Complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Glutamate--cysteine ligase, SULFATE ION
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-16
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 Angstrom Crystal structure of Glutamate--Cysteine Ligase (gshA) ftom Francisella tularensis in Complex with AMP.
To be Published
7K9K
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BU of 7k9k by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2H04 (local refinement)
Descriptor: 2H04 heavy chain, 2H04 light chain, Spike protein S1, ...
Authors:Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 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
7K9H
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BU of 7k9h by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, ...
Authors:Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9I
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BU of 7k9i by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2B04 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, 2B04 light chain, ...
Authors:Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9J
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BU of 7k9j by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab 2H04 (three down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2H04 heavy chain, ...
Authors:Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
4I08
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BU of 4i08 by Molmil
Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG) from Vibrio cholerae in complex with NADPH
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hou, J, Chruszcz, M, Zheng, H, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-11-16
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
7KPS
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BU of 7kps by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with AcCoA
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
7KPP
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BU of 7kpp by Molmil
Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
7L6R
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BU of 7l6r by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn).
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, MANGANESE (II) ION, ...
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:2020-12-23
Release date:2021-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 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
7KYE
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BU of 7kye by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-07
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
To Be Published
7L6T
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BU of 7l6t by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and two Magnesium (Mg) ions.
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:2020-12-23
Release date:2021-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 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
7KYU
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BU of 7kyu by Molmil
The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate
Descriptor: 1,2-ETHANEDIOL, 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole, 3C-like proteinase
Authors:Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-08
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate
To Be Published
3NRS
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BU of 3nrs by Molmil
Crystal structure of ligand-free bifunctional folylpolyglutamate synthase/dihydrofolate synthase from yersinia pestis c092
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrofolate:folylpolyglutamate synthetase, GLYCEROL, ...
Authors:Nocek, B, Maltseva, N, Makowska-grzyska, M, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-06-30
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of ligand-free bifunctional folylpolyglutamate synthase/dihydrofolate synthase from yersinia pestis c092
TO BE PUBLISHED
4IBB
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BU of 4ibb by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-08
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
3OS4
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BU of 3os4 by Molmil
The Crystal Structure of Nicotinate Phosphoribosyltransferase from Yersinia pestis
Descriptor: ACETIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Maltseva, N, Kim, Y, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-08
Release date:2010-09-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:The Crystal Structure of Nicotinate Phosphoribosyltransferase from Yersinia pestis
TO BE PUBLISHED
3OTR
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BU of 3otr by Molmil
2.75 Angstrom Crystal Structure of Enolase 1 from Toxoplasma gondii
Descriptor: CHLORIDE ION, Enolase, SULFATE ION
Authors:Minasov, G, Ruan, J, Shuvalova, L, Halavaty, A, Ngo, H, Tomavo, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-13
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The structure of bradyzoite-specific enolase from Toxoplasma gondii reveals insights into its dual cytoplasmic and nuclear functions.
Acta Crystallogr.,Sect.D, 71, 2015
4IUO
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BU of 4iuo by Molmil
1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate
Descriptor: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase
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:2013-01-21
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 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
3OUG
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BU of 3oug by Molmil
Crystal structure of cleaved L-aspartate-alpha-decarboxylase from Francisella tularensis
Descriptor: Aspartate 1-decarboxylase, CHLORIDE ION, GLYCEROL
Authors:Nocek, B, Gu, M, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-14
Release date:2010-10-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of cleaved L-aspartate-alpha-decarboxylase from Francisella tularensis
To be Published
4JID
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BU of 4jid by Molmil
Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-free
Descriptor: CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein
Authors:Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-03-05
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition.
Structure, 22, 2014
4MYO
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BU of 4myo by Molmil
Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus
Descriptor: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-27
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
7K1L
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BU of 7k1l by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
Authors:Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Welk, L, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-07
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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

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