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4EBJ
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BU of 4ebj by Molmil
Crystal structure of aminoglycoside 4'-O-adenylyltransferase ANT(4')-IIb, apo
Descriptor: 1,2-ETHANEDIOL, Aminoglycoside nucleotidyltransferase, SULFATE ION
Authors:Stogios, P.J, Wawrzak, Z, Minasov, G, Evdokimova, E, Egorova, O, Yim, V, Kudritska, M, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-23
Release date:2012-04-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of aminoglycoside 4'-O-adenylyltransferase ANT(4')-IIb, apo
To be Published
4EQB
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BU of 4eqb by Molmil
1.5 Angstrom Crystal Structure of Spermidine/Putrescine ABC Transporter Substrate-Binding Protein PotD from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Calcium and HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Minasov, G, Wawrzak, Z, Stogios, P.J, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.5 Angstrom Crystal Structure of Spermidine/Putrescine ABC Transporter Substrate-Binding Protein from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Calcium and HEPES.
TO BE PUBLISHED
4EGU
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BU of 4egu by Molmil
0.95A Resolution Structure of a Histidine Triad Protein from Clostridium difficile
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION, ZINC ION, ...
Authors:Anderson, S.M, Wawrzak, Z, Kudritska, M, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-01
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:0.95A Resolution Structure of a Histidine Triad Protein from Clostridium difficile
To be Published
4ERR
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BU of 4err by Molmil
1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5
Descriptor: Autotransporter adhesin, BROMIDE ION, CHLORIDE ION
Authors:Minasov, G, Wawrzak, Z, Geissler, B, Shuvalova, L, Dubrovska, I, Winsor, J, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5.
TO BE PUBLISHED
4Q51
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BU of 4q51 by Molmil
Crystal structure of a putative molybdenum cofactor biosynthesis protein F from Burkholderia cenocepacia J2315
Descriptor: CALCIUM ION, Uncharacterized protein
Authors:Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Minasov, G, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-04-15
Release date:2014-05-07
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a putative molybdenum cofactor biosynthesis protein F from Burkholderia cenocepacia J2315
To be Published
4Q52
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BU of 4q52 by Molmil
2.60 Angstrom resolution crystal structure of a conserved uncharacterized protein from Chitinophaga pinensis DSM 2588
Descriptor: Uncharacterized protein, beta-D-glucopyranose
Authors:Halavaty, A.S, Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Minasov, G, Jedrzejczak, R, Shuvalova, L, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-04-15
Release date:2014-05-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.60 Angstrom resolution crystal structure of a conserved uncharacterized protein from Chitinophaga pinensis DSM 2588
To be Published
4QL5
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BU of 4ql5 by Molmil
Crystal structure of translation initiation factor IF-1 from Streptococcus pneumoniae TIGR4
Descriptor: ACETATE ION, GLYCEROL, Translation initiation factor IF-1, ...
Authors:Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-06-10
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.025 Å)
Cite:Crystal structure of translation initiation factor IF-1 from Streptococcus pneumoniae TIGR4
TO BE PUBLISHED
4QVS
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BU of 4qvs by Molmil
2.1 Angstrom resolution crystal structure of S-layer domain-containing protein (residues 221-444) from Clostridium thermocellum ATCC 27405
Descriptor: CHLORIDE ION, S-layer domain-containing protein, SODIUM ION
Authors:Halavaty, A.S, Wawrzak, Z, Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-07-15
Release date:2014-07-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2.1 Angstrom resolution crystal structure of S-layer domain-containing protein (residues 221-444) from Clostridium thermocellum ATCC 27405
To be Published
4RS2
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BU of 4rs2 by Molmil
1.55 Angstrom Crystal Structure of GNAT Family N-acetyltransferase (YhbS) from Escherichia coli in Complex with CoA
Descriptor: COENZYME A, Predicted acyltransferase with acyl-CoA N-acyltransferase domain
Authors:Minasov, G, Wawrzak, Z, Kuhn, M, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-11-06
Release date:2014-11-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1.55 Angstrom Crystal Structure of GNAT Family N-acetyltransferase (YhbS) from Escherichia coli in Complex with CoA.
TO BE PUBLISHED
4S1A
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BU of 4s1a by Molmil
Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC 27405
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, TETRAETHYLENE GLYCOL, ...
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-01-09
Release date:2015-01-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum ATCC27405
To be Published
4RYK
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BU of 4ryk by Molmil
Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e
Descriptor: DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, Lmo0325 protein, ...
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-12-15
Release date:2015-01-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e
To be Published
4RO3
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BU of 4ro3 by Molmil
1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae.
Descriptor: Hypothetical Protein, SULFATE ION
Authors:Minasov, G, Wawrzak, Z, Stogios, P.J, Skarina, T, Seed, K.D, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-10-27
Release date:2014-12-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1.8 Angstrom Crystal Structure of the N-terminal Domain of Protein with Unknown Function from Vibrio cholerae.
To be Published
4RPC
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BU of 4rpc by Molmil
Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TETRAETHYLENE GLYCOL, putative alpha/beta hydrolase
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-10-30
Release date:2014-11-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense
To be Published
4RSH
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BU of 4rsh by Molmil
Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2
Descriptor: CHLORIDE ION, Lipolytic protein G-D-S-L family
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-11-07
Release date:2014-11-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2
To be Published
4UHI
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BU of 4uhi by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
Descriptor: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-08
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
4UHL
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BU of 4uhl by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP
Descriptor: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
6CR2
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BU of 6cr2 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
Descriptor: 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2018-03-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
6CZP
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BU of 6czp by Molmil
2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB from Vibrio vulnificus in Complex with FMN
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-09
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB from Vibrio vulnificus in Complex with FMN.
To Be Published
7SNM
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BU of 7snm by Molmil
Lanosterol-bound P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus
Descriptor: Cytochrome P450 51, LANOSTEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lepesheva, G.I, Hargrove, T, Wawrzak, Z.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Unravelling the role of transient redox partner complexes in P450 electron transfer mechanics.
Sci Rep, 12, 2022
6D7A
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BU of 6d7a by Molmil
Structure of T. gondii PLP1 beta-rich domain
Descriptor: Perforin-like protein 1, SODIUM ION
Authors:Guerra, A.J, Koropatkin, N.M, Wawrzak, Z, Bahr, C.M.E, Carruthers, V.B.
Deposit date:2018-04-24
Release date:2018-05-16
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural basis of Toxoplasma gondii perforin-like protein 1 membrane interaction and activity during egress.
PLoS Pathog., 14, 2018
7TA1
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BU of 7ta1 by Molmil
Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid
Descriptor: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ...
Authors:Butrin, A, Wawrzak, Z, Liu, D.
Deposit date:2021-12-20
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
6DXN
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BU of 6dxn by Molmil
1.95 Angstrom Resolution Crystal Structure of DsbA Disulfide Interchange Protein from Klebsiella pneumoniae.
Descriptor: TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein
Authors:Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-06-29
Release date:2018-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6FMO
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BU of 6fmo by Molmil
Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi
Descriptor: Obtusifoliol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14alpha-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2018-02-01
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.
J. Biol. Chem., 293, 2018
7UWP
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BU of 7uwp by Molmil
Detergent-bound CYP51 from Acanthamoeba castellanii
Descriptor: DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2022-05-03
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detergent-bound CYP51 from Acanthamoeba castellanii
to be published
3IR4
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BU of 3ir4 by Molmil
1.2 Angstrom Crystal Structure of the Glutaredoxin 2 (grxB) from Salmonella typhimurium in complex with Glutathione
Descriptor: CHLORIDE ION, GLUTATHIONE, Glutaredoxin 2, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Halavaty, A, Dauter, Z, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-21
Release date:2009-09-01
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:1.2 Angstrom Crystal Structure of the Glutaredoxin 2 (grxB) from Salmonella typhimurium in complex with Glutathione.
TO BE PUBLISHED

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