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4ODI
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BU of 4odi by Molmil
2.6 Angstrom Crystal Structure of Putative Phosphoglycerate Mutase 1 from Toxoplasma gondii
Descriptor: Phosphoglycerate mutase PGMII, SODIUM ION
Authors:Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-10
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
4F0Y
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BU of 4f0y by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-IG from Acinetobacter haemolyticus, apo
Descriptor: Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Evdokimova, E, Dong, A, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-05
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
4MY1
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BU of 4my1 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Bacillus anthracis str. Ames complexed with P68
Descriptor: 1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-26
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5997 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Bacillus anthracis str. Ames complexed with P68
To be Published
4MY8
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BU of 4my8 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor Q21
Descriptor: (2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide, 1,2-ETHANEDIOL, ACETIC ACID, ...
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Kavitha, M, Cuny, G, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-27
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2924 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor Q21
To be Published, 2013
4MZ8
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BU of 4mz8 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with an Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound C91
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-29
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5004 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound C91
To be Published
4JJP
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BU of 4jjp by Molmil
2.06 Angstrom resolution crystal structure of phosphomethylpyrimidine kinase (thiD)from Clostridium difficile 630
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Phosphomethylpyrimidine kinase
Authors:Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-03-08
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.056 Å)
Cite:2.06 Angstrom resolution crystal structure of phosphomethylpyrimidine kinase (thiD)from Clostridium difficile 630
To be Published
4MZ1
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BU of 4mz1 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12
Descriptor: 1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea, ACETIC ACID, INOSINIC ACID, ...
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-28
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3991 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12
To be Published, 2013
4MUS
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BU of 4mus by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Ala-D-Ala phosphinate analog
Descriptor: (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, CHLORIDE ION, ...
Authors:Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-23
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.675 Å)
Cite:Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
7MKM
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BU of 7mkm by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (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, SARS2-38 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
5UXC
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BU of 5uxc by Molmil
Crystal structure of macrolide 2'-phosphotransferase MphH from Brachybacterium faecium in complex with GDP
Descriptor: AZITHROMYCIN, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Skarina, T, Wawrzak, Z, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-22
Release date:2017-08-16
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The evolution of substrate discrimination in macrolide antibiotic resistance enzymes.
Nat Commun, 9, 2018
5US1
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BU of 5us1 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with N2'-acetylgentamicin C1A and coenzyme A
Descriptor: (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase, ...
Authors:Stogios, P.J, Evdokimova, E, Xu, Z, Wawrzak, Z, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-13
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
4MY9
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BU of 4my9 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, MALONATE ION, ...
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-27
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5893 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91
To be Published
4MUQ
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BU of 4muq by Molmil
Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg in complex with D-Ala-D-Ala phosphinate analog
Descriptor: (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, 1,2-ETHANEDIOL, ...
Authors:Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-23
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.364 Å)
Cite:Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
7MQN
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BU of 7mqn by Molmil
Crystal structure of class C beta lactamase from Rhodobacter sphaeroides
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Chang, C, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of class C beta lactamase from Rhodobacter sphaeroides
To Be Published
4MUR
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BU of 4mur by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ...
Authors:Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-23
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O0N
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BU of 4o0n by Molmil
2.4 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii.
Descriptor: Nucleoside diphosphate kinase, SULFATE ION
Authors:Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-12-13
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
3PGY
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BU of 3pgy by Molmil
Serine hydroxymethyltransferase from Staphylococcus aureus, S95P mutant.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, GLYCINE, ...
Authors:Osipiuk, J, Makowska-Grzyska, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-11-02
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Serine hydroxymethyltransferase from Staphylococcus aureus, S95P mutant
To be Published
4FEU
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BU of 4feu by Molmil
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
3Q10
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BU of 3q10 by Molmil
Pantoate-beta-alanine ligase from Yersinia pestis
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Osipiuk, J, Maltseva, N, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-16
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Pantoate-beta-alanine ligase from Yersinia pestis.
To be Published
3PLX
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BU of 3plx by Molmil
The crystal structure of aspartate alpha-decarboxylase from Campylobacter jejuni subsp. jejuni NCTC 11168
Descriptor: ACETATE ION, Aspartate 1-decarboxylase, DI(HYDROXYETHYL)ETHER
Authors:Tan, K, Gu, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-11-15
Release date:2010-12-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:The crystal structure of aspartate alpha-decarboxylase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
3Q0I
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BU of 3q0i by Molmil
Methionyl-tRNA formyltransferase from Vibrio cholerae
Descriptor: GLYCEROL, Methionyl-tRNA formyltransferase, SULFATE ION
Authors:Osipiuk, J, Gu, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-15
Release date:2010-12-29
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Methionyl-tRNA formyltransferase from Vibrio cholerae.
To be Published
4E0C
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BU of 4e0c by Molmil
1.8 Angstrom Resolution Crystal Structure of Transaldolase from Francisella tularensis (phosphate-free)
Descriptor: ACETATE ION, MAGNESIUM ION, Transaldolase
Authors:Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-02
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Adherence to Burgi-Dunitz stereochemical principles requires significant structural rearrangements in Schiff-base formation: insights from transaldolase complexes.
Acta Crystallogr.,Sect.D, 70, 2014
5V01
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BU of 5v01 by Molmil
Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
Descriptor: CHLORIDE ION, Competence damage-inducible protein A, SODIUM ION
Authors:Borek, D, Wawrzak, Z, Grimshaw, S, Sandoval, J, Evdokimova, E, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
To Be Published
4EVY
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BU of 4evy by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus in complex with tobramycin
Descriptor: Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, POTASSIUM ION, ...
Authors:Stogios, P.J, Evdokimova, E, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-26
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017

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