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2FIL
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BU of 2fil by Molmil
Crystal Structure Analysis of the A-DNA Decamer GCGT-2'OMeA-faT-ACGC, with Incorporated 2'-O-Methylated-Adenosine (2'OMeA) and 2'-Fluoroarabino-Thymidine (faT)
Descriptor: 5'-D(*GP*CP*GP*TP*(A2M)P*(TAF)P*AP*CP*GP*C)-3', COBALT HEXAMMINE(III)
Authors:Egli, M, Li, F.
Deposit date:2005-12-29
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:2'-Fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H.
Biochemistry, 45, 2006
6WN5
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BU of 6wn5 by Molmil
1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator HdfR from Klebsiella pneumoniae
Descriptor: CHLORIDE ION, Transcriptional regulator HdfR
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-22
Release date:2020-05-06
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6WN8
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BU of 6wn8 by Molmil
2.70 Angstrom Resolution Crystal Structure of Uracil Phosphoribosyl Transferase from Klebsiella pneumoniae
Descriptor: CHLORIDE ION, SULFATE ION, Uracil phosphoribosyltransferase, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-22
Release date:2020-05-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
4UYL
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BU of 4uyl by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI
Descriptor: 14-ALPHA STEROL DEMETHYLASE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2014-09-01
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
1BHS
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BU of 1bhs by Molmil
HUMAN ESTROGENIC 17BETA-HYDROXYSTEROID DEHYDROGENASE
Descriptor: 17BETA-HYDROXYSTEROID DEHYDROGENASE
Authors:Ghosh, D.
Deposit date:1995-04-19
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase at 2.20 A resolution.
Structure, 3, 1995
6DUX
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BU of 6dux by Molmil
2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD.
Descriptor: (2S)-2-hydroxybutanedioic acid, 6-phospho-alpha-glucosidase, ACETATE ION, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-06-22
Release date:2018-07-04
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
7LO9
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BU of 7lo9 by Molmil
RNA dodecamer containing a GNA A residue
Descriptor: Chains: A,B,C,D
Authors:Harp, J.M, Wawrzak, Z, Egli, M.
Deposit date:2021-02-09
Release date:2021-12-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
3TIK
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BU of 3tik by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
Descriptor: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51)
Authors:Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I.
Deposit date:2011-08-20
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.
Antimicrob.Agents Chemother., 56, 2012
2HSD
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BU of 2hsd by Molmil
THE REFINED THREE-DIMENSIONAL STRUCTURE OF 3ALPHA,20BETA-HYDROXYSTEROID DEHYDROGENASE AND POSSIBLE ROLES OF THE RESIDUES CONSERVED IN SHORT-CHAIN DEHYDROGENASES
Descriptor: 3-ALPHA, 20 BETA-HYDROXYSTEROID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Ghosh, D, Duax, W.L.
Deposit date:1994-03-28
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The refined three-dimensional structure of 3 alpha,20 beta-hydroxysteroid dehydrogenase and possible roles of the residues conserved in short-chain dehydrogenases.
Structure, 2, 1994
2FIH
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BU of 2fih by Molmil
Crystal Structure Analysis of the B-DNA Dodecamer CGCGAA-aU-TCGCG, with Incorporated Arabino-Uridine (aU)
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*(UAR)P*TP*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Egli, M, Li, F.
Deposit date:2005-12-29
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:2'-Fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H.
Biochemistry, 45, 2006
2FII
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BU of 2fii by Molmil
Crystal Structure Analysis of the B-DNA Dodecamer CGCGAAT-aU-CGCG, with Incorporated Arabino-Uridin (aU)
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UAR)P*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Egli, M, Li, F.
Deposit date:2005-12-29
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:2'-Fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H.
Biochemistry, 45, 2006
5VGC
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BU of 5vgc by Molmil
Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Borek, D, Valleau, D, Skarina, T, Jobin, M.C, Wawrzak, Z, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-04-10
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
To Be Published
8DL1
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BU of 8dl1 by Molmil
BoGH13ASus-E523Q from Bacteroides ovatus bound to maltoheptaose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Alpha amylase, ...
Authors:Brown, H.A, DeVeaux, A.L, Koropatkin, N.M.
Deposit date:2022-07-06
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
8DL2
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BU of 8dl2 by Molmil
BoGH13ASus from Bacteroides ovatus bound to acarbose
Descriptor: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Brown, H.A, DeVeaux, A.L, Koropatkin, N.M.
Deposit date:2022-07-06
Release date:2023-05-24
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
8DGE
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BU of 8dge by Molmil
BoGH13ASus from Bacteroides ovatus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Alpha amylase, ...
Authors:Brown, H.A, DeVeaux, A.L, Koropatkin, N.M.
Deposit date:2022-06-23
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
6X3K
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BU of 6x3k by Molmil
Hsa Siglec and Unique domains in complex with 6S-sialy-Lewisx
Descriptor: N-acetyl-alpha-neuraminic acid, SODIUM ION, Streptococcal hemagglutinin, ...
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-05-21
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
6X3Q
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BU of 6x3q by Molmil
Hsa Siglec and Unique domains in complex with 3'sialyl-N-acetyllactosamine trisaccharide
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-05-21
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
6X1L
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BU of 6x1l by Molmil
The crystal structure of a functional uncharacterized protein KP1_0663 from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044
Descriptor: WbbZ protein
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-19
Release date:2020-06-03
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
5KZH
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BU of 5kzh by Molmil
High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51
Descriptor: ACETATE ION, Beta-lactamase, FORMIC ACID
Authors:June, C.M, Powers, R.A, Leonard, D.A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
5L2F
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BU of 5l2f by Molmil
High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem
Descriptor: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ...
Authors:June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T.
Deposit date:2016-08-01
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
2XKX
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BU of 2xkx by Molmil
Single particle analysis of PSD-95 in negative stain
Descriptor: DISKS LARGE HOMOLOG 4
Authors:Fomina, S, Howard, T.D, Sleator, O.K, Golovanova, M, O'Ryan, L, Leyland, M.L, Grossmann, J.G, Collins, R.F, Prince, S.M.
Deposit date:2010-07-15
Release date:2011-07-20
Last modified:2019-11-13
Method:ELECTRON MICROSCOPY (22.9 Å), SOLUTION SCATTERING
Cite:Self-Directed Assembly and Clustering of the Cytoplasmic Domains of Inwardly Rectifying Kir2.1 Potassium Channels on Association with Psd-95
Biochim.Biophys.Acta, 1808, 2011
6OW4
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BU of 6ow4 by Molmil
Structure of the NADH-bound form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, short chain dehydrogenase/reductase family protein
Authors:Mythen, S.M, Pollet, R.M, Koropatkin, N.M, Ridlon, J.M.
Deposit date:2019-05-09
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and biochemical characterization of 20 beta-hydroxysteroid dehydrogenase fromBifidobacterium adolescentisstrain L2-32.
J.Biol.Chem., 294, 2019
6V0A
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BU of 6v0a by Molmil
Crystal structure of cytochrome c nitrite reductase from the bacterium Geobacter lovleyi with bound sulfate
Descriptor: HEME C, Nitrite reductase (cytochrome; ammonia-forming), SULFATE ION
Authors:Satyanarayana, L, Campecino, J, Hegg, L.H, Hu, J.
Deposit date:2019-11-18
Release date:2020-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Cytochromecnitrite reductase from the bacteriumGeobacter lovleyirepresents a new NrfA subclass.
J.Biol.Chem., 295, 2020
1IDP
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BU of 1idp by Molmil
Crystal structure of scytalone dehydratase F162A mutant in the unligated state
Descriptor: SCYTALONE DEHYDRATASE
Authors:Nakasako, M, Motoyama, T, Yamaguchi, I.
Deposit date:2001-04-04
Release date:2003-04-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallization of scytalone dehydratase F162A mutant in the unligated state and a preliminary X-ray diffraction study at 37 K
Acta Crystallogr.,Sect.D, 58, 2002
7KMJ
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BU of 7kmj by Molmil
Hsa Siglec and Unique domains in complex with Sialyl Lewis C
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-11-03
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022

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