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2BNU
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BU of 2bnu by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
Descriptor: T-CELL RECEPTOR ALPHA CHAIN C REGION, T-CELL RECEPTOR BETA CHAIN C REGION
Authors:Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, Van Der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
Deposit date:2005-04-04
Release date:2005-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines.
J.Exp.Med., 201, 2005
3A4D
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BU of 3a4d by Molmil
Crystal structure of Human Transthyretin (wild-type)
Descriptor: GLYCEROL, SULFATE ION, Transthyretin
Authors:Miyata, M.
Deposit date:2009-07-06
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of the Glutamic Acid 54 Residue in Transthyretin Stability and Thyroxine Binding
Biochemistry, 2009
5Y6T
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BU of 5y6t by Molmil
Crystal structure of endo-1,4-beta-mannanase from Eisenia fetida
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, endo-1,4-beta-mannanase
Authors:Hirano, Y, Ueda, M, Tamada, T.
Deposit date:2017-08-15
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Gene cloning, expression, and X-ray crystallographic analysis of a beta-mannanase from Eisenia fetida.
Enzyme.Microb.Technol., 117, 2018
6XY9
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BU of 6xy9 by Molmil
Crystal structure of haloalkane dehalogenase DbeA-M1 loop variant from Bradyrhizobium elkanii
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase
Authors:Prudnikova, T, Rezacova, P, Kuta Smatanova, I, Chaloupkova, R, Damborsky, J.
Deposit date:2020-01-29
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family.
Comput Struct Biotechnol J, 18, 2020
7DTM
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BU of 7dtm by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 in complex with citrate.
Descriptor: CITRATE ANION, Metallo-beta-lactamase type 2, ZINC ION
Authors:Yamaguchi, Y, Kurosaki, H.
Deposit date:2021-01-06
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Metallo-beta-Lactamase (IMP-1) and Its D120E Mutant in Complexes with Citrate and the Inhibitory Effect of the Benzyl Group in Citrate Monobenzyl Ester.
J.Med.Chem., 64, 2021
7DTN
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BU of 7dtn by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate.
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, Metallo-beta-lactamase type 2, ...
Authors:Yamaguchi, Y, Kurosaki, H.
Deposit date:2021-01-06
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Metallo-beta-Lactamase (IMP-1) and Its D120E Mutant in Complexes with Citrate and the Inhibitory Effect of the Benzyl Group in Citrate Monobenzyl Ester.
J.Med.Chem., 64, 2021
8WWY
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BU of 8wwy by Molmil
Crystal structure of mouse TIFA/TIFAB heterodimer
Descriptor: (2R,5R)-hexane-2,5-diol, TRAF-interacting protein with FHA domain-containing protein A, TRAF-interacting protein with FHA domain-containing protein B
Authors:Nakamura, T.
Deposit date:2023-10-27
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:TIFAB regulates the TIFA-TRAF6 signaling pathway involved in innate immunity by forming a heterodimer complex with TIFA.
Proc.Natl.Acad.Sci.USA, 121, 2024
7CID
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BU of 7cid by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI4
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BU of 7ci4 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIC
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BU of 7cic by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI9
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BU of 7ci9 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI5
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BU of 7ci5 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIB
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BU of 7cib by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI7
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BU of 7ci7 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI8
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BU of 7ci8 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIE
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BU of 7cie by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIA
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BU of 7cia by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI6
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BU of 7ci6 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
2ZIS
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BU of 2zis by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a bezoruran inhibitor and FPP
Descriptor: 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile, ACETIC ACID, FARNESYL DIPHOSPHATE, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2ZIR
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BU of 2zir by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a benzofuran inhibitor and FPP
Descriptor: 2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
1WGC
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BU of 1wgc by Molmil
2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, WHEAT GERM LECTIN
Authors:Wright, C.S.
Deposit date:1990-04-03
Release date:1990-10-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes.
J.Mol.Biol., 215, 1990
1K63
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BU of 1k63 by Molmil
Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with UT26 2-BROMO-2-PROPENE-1-OL at 1.8A resolution
Descriptor: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, 2-BROMO-2-PROPENE-1-OL, BROMIDE ION, ...
Authors:Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
Deposit date:2001-10-15
Release date:2003-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
1K5P
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BU of 1k5p by Molmil
Hydrolytic haloalkane dehalogenase LINB from sphingomonas paucimobilis UT26 at 1.8A resolution
Descriptor: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION
Authors:Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
Deposit date:2001-10-12
Release date:2003-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
3A2M
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BU of 3a2m by Molmil
CRYSTAL STRUCTURE OF DBJA (WILD TYPE Type I)
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Sato, Y, Senda, T.
Deposit date:2009-05-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3A2L
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BU of 3a2l by Molmil
Crystal structure of DBJA (mutant dbja delta)
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Sato, Y, Senda, T.
Deposit date:2009-05-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010

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